smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160230746 705248063 /nfs/dbraw/zinc/24/80/63/705248063.db2.gz MINOHXYWOJHOSF-UHFFFAOYSA-N 2 0 350.503 3.353 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000757673324 722978172 /nfs/dbraw/zinc/97/81/72/722978172.db2.gz CHGNZJAWRGVNRF-ZDUSSCGKSA-N 2 0 359.308 3.164 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000825478811 729384680 /nfs/dbraw/zinc/38/46/80/729384680.db2.gz GXDDCAZZZIRBSH-GOSISDBHSA-N 2 0 360.885 3.210 20 10 FGCDRP COCCC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000873224718 735740260 /nfs/dbraw/zinc/74/02/60/735740260.db2.gz GXCCQSXZFFLDDG-UHFFFAOYSA-N 2 0 359.436 3.020 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000883283911 737547129 /nfs/dbraw/zinc/54/71/29/737547129.db2.gz YJNKASBFPKDGBK-UHFFFAOYSA-N 2 0 365.308 3.430 20 10 FGCDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000267209839 497503049 /nfs/dbraw/zinc/50/30/49/497503049.db2.gz QIKYKFLMUQNUOI-UHFFFAOYSA-N 2 0 353.510 3.175 20 10 FGCDRP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(O)c1 ZINC000293868123 498517200 /nfs/dbraw/zinc/51/72/00/498517200.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 2 0 362.514 3.255 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000757673834 722978192 /nfs/dbraw/zinc/97/81/92/722978192.db2.gz LHWUWBAOGVIBHR-ZDUSSCGKSA-N 2 0 359.308 3.164 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000808675085 725212854 /nfs/dbraw/zinc/21/28/54/725212854.db2.gz VXWHSDRTWMTYLK-YJBOKZPZSA-N 2 0 353.938 3.277 20 10 FGCDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890463 727287242 /nfs/dbraw/zinc/28/72/42/727287242.db2.gz YGZLMQDRDIYJLE-UTKZUKDTSA-N 2 0 355.551 3.288 20 10 FGCDRP Cc1cc(Br)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431477 727311125 /nfs/dbraw/zinc/31/11/25/727311125.db2.gz NQQOBWRDKKCBCB-CYBMUJFWSA-N 2 0 353.304 3.427 20 10 FGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145886 730932078 /nfs/dbraw/zinc/93/20/78/730932078.db2.gz PLRBRXBNBISLHM-RYRKJORJSA-N 2 0 350.503 3.188 20 10 FGCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916188 495770400 /nfs/dbraw/zinc/77/04/00/495770400.db2.gz XYVRUNINHGYFDM-ROUUACIJSA-N 2 0 362.537 3.103 20 10 FGCDRP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267318179 497524622 /nfs/dbraw/zinc/52/46/22/497524622.db2.gz YIYQYPXVEOZXQN-UHFFFAOYSA-N 2 0 360.885 3.292 20 10 FGCDRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296310215 497993964 /nfs/dbraw/zinc/99/39/64/497993964.db2.gz FCXLJHPRHLAPLB-UXHICEINSA-N 2 0 352.478 3.126 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230303 498331763 /nfs/dbraw/zinc/33/17/63/498331763.db2.gz STXSGDXCRZXKIR-AZUAARDMSA-N 2 0 358.457 3.339 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(c4nccs4)CCCC3)cc2)CC1 ZINC000771843091 723743392 /nfs/dbraw/zinc/74/33/92/723743392.db2.gz QVTDYQLZENWYPA-UHFFFAOYSA-N 2 0 356.539 3.454 20 10 FGCDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890462 727287194 /nfs/dbraw/zinc/28/71/94/727287194.db2.gz YGZLMQDRDIYJLE-LAUBAEHRSA-N 2 0 355.551 3.288 20 10 FGCDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000817932277 727288385 /nfs/dbraw/zinc/28/83/85/727288385.db2.gz URCVNJPMHAWCCU-DOTOQJQBSA-N 2 0 353.938 3.420 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817986842 727290789 /nfs/dbraw/zinc/29/07/89/727290789.db2.gz UPROQGVKFMMIGG-LUKYLMHMSA-N 2 0 363.933 3.215 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840940106 730194251 /nfs/dbraw/zinc/19/42/51/730194251.db2.gz VKSODQBEOGGPJX-UHFFFAOYSA-N 2 0 365.949 3.204 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000843344084 730609226 /nfs/dbraw/zinc/60/92/26/730609226.db2.gz PVXROQPKDZWFEJ-OAHLLOKOSA-N 2 0 359.901 3.486 20 10 FGCDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912721 730788735 /nfs/dbraw/zinc/78/87/35/730788735.db2.gz WKAPIZUXVRRPPF-INMHGKMJSA-N 2 0 369.303 3.016 20 10 FGCDRP CSC1(C[NH2+]Cc2c(O)cccc2Br)CC[NH+](C)CC1 ZINC000858165580 732188479 /nfs/dbraw/zinc/18/84/79/732188479.db2.gz KDZZLNJHFWWEBP-UHFFFAOYSA-N 2 0 359.333 3.072 20 10 FGCDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862367532 732817328 /nfs/dbraw/zinc/81/73/28/732817328.db2.gz MAYBDKVVUJTCNB-AWEZNQCLSA-N 2 0 353.304 3.318 20 10 FGCDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@H]1C(C)C ZINC000922393219 758912608 /nfs/dbraw/zinc/91/26/08/758912608.db2.gz QREIZHVBNNQCLQ-NXWXRZEISA-N 2 0 352.906 3.005 20 10 FGCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393439 496509545 /nfs/dbraw/zinc/50/95/45/496509545.db2.gz JEYQGULNQZNRRK-HOCLYGCPSA-N 2 0 371.447 3.114 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1C ZINC000273432271 496804820 /nfs/dbraw/zinc/80/48/20/496804820.db2.gz WCNOLXTYFBMZFD-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263731614 497811631 /nfs/dbraw/zinc/81/16/31/497811631.db2.gz YJZFUOCXOGGQMI-UHFFFAOYSA-N 2 0 353.510 3.176 20 10 FGCDRP Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000378443613 499517420 /nfs/dbraw/zinc/51/74/20/499517420.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 2 0 359.558 3.329 20 10 FGCDRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000378449056 499518294 /nfs/dbraw/zinc/51/82/94/499518294.db2.gz FHTJBKMSJMOHEY-UHFFFAOYSA-N 2 0 365.949 3.332 20 10 FGCDRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216347 725297292 /nfs/dbraw/zinc/29/72/92/725297292.db2.gz HYPYGOQOBNUEJV-CZUORRHYSA-N 2 0 359.436 3.088 20 10 FGCDRP COc1ccc(N2CCC([NH2+]CC3(SC)CC[NH+](C)CC3)CC2)cc1 ZINC000810252228 725300079 /nfs/dbraw/zinc/30/00/79/725300079.db2.gz MAGOUMMPEIBTNS-UHFFFAOYSA-N 2 0 363.571 3.081 20 10 FGCDRP Cc1cc(O)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000850344879 731345066 /nfs/dbraw/zinc/34/50/66/731345066.db2.gz ZRNOEDGOCLUYAE-UHFFFAOYSA-N 2 0 352.906 3.335 20 10 FGCDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000850499962 731364861 /nfs/dbraw/zinc/36/48/61/731364861.db2.gz BEPWYELEWRXLPV-KBPBESRZSA-N 2 0 372.351 3.077 20 10 FGCDRP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093273 731664415 /nfs/dbraw/zinc/66/44/15/731664415.db2.gz HGRWBPVXBWRQLX-CQSZACIVSA-N 2 0 353.304 3.366 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926855227 759832445 /nfs/dbraw/zinc/83/24/45/759832445.db2.gz SGILDBKRHIGJTA-LJQANCHMSA-N 2 0 356.901 3.264 20 10 FGCDRP CCN(CC)Cc1nc(C2(NCc3cc(C)ccc3O)CCCC2)no1 ZINC000266059731 497244050 /nfs/dbraw/zinc/24/40/50/497244050.db2.gz ANCWKZXRSLXRKJ-UHFFFAOYSA-N 2 0 358.486 3.485 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092178 497618772 /nfs/dbraw/zinc/61/87/72/497618772.db2.gz CMTJKRFQOAOKOH-RYRKJORJSA-N 2 0 365.468 3.473 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C)cc1O ZINC000280243612 497693675 /nfs/dbraw/zinc/69/36/75/497693675.db2.gz WEBGDMWFCDFLRT-FQEVSTJZSA-N 2 0 369.509 3.233 20 10 FGCDRP Cc1cc(O)c(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000363659958 498929129 /nfs/dbraw/zinc/92/91/29/498929129.db2.gz CPJMDNXVMWBYRO-UHFFFAOYSA-N 2 0 359.558 3.295 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)CC(C)C)cc2F)CC1 ZINC000765853018 723544265 /nfs/dbraw/zinc/54/42/65/723544265.db2.gz OHOJWNREQVVGIZ-SFHVURJKSA-N 2 0 351.510 3.118 20 10 FGCDRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216345 725297423 /nfs/dbraw/zinc/29/74/23/725297423.db2.gz HYPYGOQOBNUEJV-CJNGLKHVSA-N 2 0 359.436 3.088 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900360 727287574 /nfs/dbraw/zinc/28/75/74/727287574.db2.gz OIFUPKHNAGLYLS-RKVPGOIHSA-N 2 0 353.457 3.235 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CSc4ccccc43)cc2)CC1 ZINC000824483917 729342206 /nfs/dbraw/zinc/34/22/06/729342206.db2.gz WUGOODHVTSNCHW-SFHVURJKSA-N 2 0 353.535 3.418 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000824483880 729342236 /nfs/dbraw/zinc/34/22/36/729342236.db2.gz WUGOODHVTSNCHW-GOSISDBHSA-N 2 0 353.535 3.418 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124902 730588305 /nfs/dbraw/zinc/58/83/05/730588305.db2.gz KNEXAODYJKMHIN-UONOGXRCSA-N 2 0 353.304 3.285 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000843344083 730609180 /nfs/dbraw/zinc/60/91/80/730609180.db2.gz PVXROQPKDZWFEJ-HNNXBMFYSA-N 2 0 359.901 3.486 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000848518242 731174167 /nfs/dbraw/zinc/17/41/67/731174167.db2.gz JJFSZBHPWNGKMK-NWDGAFQWSA-N 2 0 369.303 3.298 20 10 FGCDRP [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980469 743907992 /nfs/dbraw/zinc/90/79/92/743907992.db2.gz SJNRQUKNQXYKHM-IYBDPMFKSA-N 2 0 370.324 3.100 20 10 FGCDRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925786600 759539815 /nfs/dbraw/zinc/53/98/15/759539815.db2.gz XBPUEGFHZHULAI-MFKMUULPSA-N 2 0 363.246 3.440 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916299 495770802 /nfs/dbraw/zinc/77/08/02/495770802.db2.gz XYVRUNINHGYFDM-MSOLQXFVSA-N 2 0 362.537 3.103 20 10 FGCDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000194260780 497616675 /nfs/dbraw/zinc/61/66/75/497616675.db2.gz VBHJTFVHRPCDTQ-UWJYYQICSA-N 2 0 355.526 3.468 20 10 FGCDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000194260792 497617556 /nfs/dbraw/zinc/61/75/56/497617556.db2.gz VBHJTFVHRPCDTQ-DYESRHJHSA-N 2 0 355.526 3.468 20 10 FGCDRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896803 /nfs/dbraw/zinc/89/68/03/498896803.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 2 0 359.558 3.466 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000295197017 498939557 /nfs/dbraw/zinc/93/95/57/498939557.db2.gz OSXOHXYKFCRYCA-GOSISDBHSA-N 2 0 361.505 3.159 20 10 FGCDRP C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732096 499053051 /nfs/dbraw/zinc/05/30/51/499053051.db2.gz WBZGVFMCSCSBIY-QWRGUYRKSA-N 2 0 368.250 3.404 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1O ZINC000368402224 499292631 /nfs/dbraw/zinc/29/26/31/499292631.db2.gz JODBLJQYFGAUJG-KBXCAEBGSA-N 2 0 362.905 3.260 20 10 FGCDRP Oc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134039098 704810908 /nfs/dbraw/zinc/81/09/08/704810908.db2.gz AQVYMUIVYHIOQU-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP CSc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000797880116 723877763 /nfs/dbraw/zinc/87/77/63/723877763.db2.gz RUENQMSASUFMRU-UHFFFAOYSA-N 2 0 355.551 3.493 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000808711370 725214505 /nfs/dbraw/zinc/21/45/05/725214505.db2.gz DVPLDQUJFFWNSM-YOEHRIQHSA-N 2 0 369.937 3.097 20 10 FGCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000817413746 727249071 /nfs/dbraw/zinc/24/90/71/727249071.db2.gz DZJHQUTYAZNECW-UHFFFAOYSA-N 2 0 351.922 3.038 20 10 FGCDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000844927365 730790673 /nfs/dbraw/zinc/79/06/73/730790673.db2.gz ZINJCJBGRHIYED-OAHLLOKOSA-N 2 0 351.922 3.217 20 10 FGCDRP C[C@H](CSCCF)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850449356 731358587 /nfs/dbraw/zinc/35/85/87/731358587.db2.gz WGFXHPCUYGAMOP-QGZVFWFLSA-N 2 0 365.562 3.399 20 10 FGCDRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000127587436 494966327 /nfs/dbraw/zinc/96/63/27/494966327.db2.gz KYHRXEISKRBGFQ-WOJBJXKFSA-N 2 0 358.574 3.354 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155277075 495901793 /nfs/dbraw/zinc/90/17/93/495901793.db2.gz PVVPIRLAONHBSD-OAHLLOKOSA-N 2 0 371.504 3.225 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355811 496781644 /nfs/dbraw/zinc/78/16/44/496781644.db2.gz CQOLYMUDEMKHMK-ONGXBYRLSA-N 2 0 358.526 3.299 20 10 FGCDRP CCCC[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000765852544 723544313 /nfs/dbraw/zinc/54/43/13/723544313.db2.gz MJWFZZLXHHVPJJ-GOSISDBHSA-N 2 0 351.510 3.262 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000808696508 725213807 /nfs/dbraw/zinc/21/38/07/725213807.db2.gz VMFMYFNGZFFOCL-ZBFHGGJFSA-N 2 0 351.922 3.173 20 10 FGCDRP Cc1cc(Br)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431479 727311268 /nfs/dbraw/zinc/31/12/68/727311268.db2.gz NQQOBWRDKKCBCB-ZDUSSCGKSA-N 2 0 353.304 3.427 20 10 FGCDRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137228 732184605 /nfs/dbraw/zinc/18/46/05/732184605.db2.gz KBHUYCIHMSQWDD-QZTJIDSGSA-N 2 0 365.949 3.472 20 10 FGCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154313643 495577587 /nfs/dbraw/zinc/57/75/87/495577587.db2.gz IAVRHKDVXDZNTA-FQEVSTJZSA-N 2 0 358.574 3.355 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)ccc1O ZINC000185651767 495662728 /nfs/dbraw/zinc/66/27/28/495662728.db2.gz IVLQIWHRHIPFIZ-HNNXBMFYSA-N 2 0 358.457 3.339 20 10 FGCDRP COc1ccc(O)c(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000150908621 495677144 /nfs/dbraw/zinc/67/71/44/495677144.db2.gz HMZONGYYTVTUFG-UHFFFAOYSA-N 2 0 369.509 3.221 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729733 496691813 /nfs/dbraw/zinc/69/18/13/496691813.db2.gz CMTJKRFQOAOKOH-SOLBZPMBSA-N 2 0 365.468 3.473 20 10 FGCDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000194260770 497617287 /nfs/dbraw/zinc/61/72/87/497617287.db2.gz VBHJTFVHRPCDTQ-LAUBAEHRSA-N 2 0 355.526 3.468 20 10 FGCDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287565264 498798879 /nfs/dbraw/zinc/79/88/79/498798879.db2.gz GKHTXANMUOKMPV-SFHVURJKSA-N 2 0 374.916 3.433 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000295197018 498939022 /nfs/dbraw/zinc/93/90/22/498939022.db2.gz OSXOHXYKFCRYCA-SFHVURJKSA-N 2 0 361.505 3.159 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1O ZINC000775023952 723953425 /nfs/dbraw/zinc/95/34/25/723953425.db2.gz OMKCCYGEWQEAKN-UHFFFAOYSA-N 2 0 369.303 3.127 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000808706502 725214357 /nfs/dbraw/zinc/21/43/57/725214357.db2.gz LNOFHOMVQLNUSU-DOPJRALCSA-N 2 0 352.906 3.382 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900362 727287427 /nfs/dbraw/zinc/28/74/27/727287427.db2.gz OIFUPKHNAGLYLS-RVKKMQEKSA-N 2 0 353.457 3.235 20 10 FGCDRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817973659 727290018 /nfs/dbraw/zinc/29/00/18/727290018.db2.gz FZQNBCBZDCNZQB-HNNXBMFYSA-N 2 0 371.319 3.212 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124897 730588471 /nfs/dbraw/zinc/58/84/71/730588471.db2.gz KNEXAODYJKMHIN-KBPBESRZSA-N 2 0 353.304 3.285 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126618 730588699 /nfs/dbraw/zinc/58/86/99/730588699.db2.gz LWGITGGNTOJKJV-KGLIPLIRSA-N 2 0 353.304 3.366 20 10 FGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145878 730932038 /nfs/dbraw/zinc/93/20/38/730932038.db2.gz PLRBRXBNBISLHM-JZXOWHBKSA-N 2 0 350.503 3.188 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000848527369 731175555 /nfs/dbraw/zinc/17/55/55/731175555.db2.gz AKIBVLWGSJPMQA-VXGBXAGGSA-N 2 0 357.292 3.156 20 10 FGCDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@@H]1C(C)C ZINC000922393220 758912816 /nfs/dbraw/zinc/91/28/16/758912816.db2.gz QREIZHVBNNQCLQ-OQIJWPOYSA-N 2 0 352.906 3.005 20 10 FGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000925775604 759534106 /nfs/dbraw/zinc/53/41/06/759534106.db2.gz HTJLFNHHNMJQGC-GHMZBOCLSA-N 2 0 363.246 3.359 20 10 FGCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185414153 495568624 /nfs/dbraw/zinc/56/86/24/495568624.db2.gz OAGJBPUILUOJNE-DZGCQCFKSA-N 2 0 371.319 3.042 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155276972 495901241 /nfs/dbraw/zinc/90/12/41/495901241.db2.gz PVVPIRLAONHBSD-HNNXBMFYSA-N 2 0 371.504 3.225 20 10 FGCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393328 496508682 /nfs/dbraw/zinc/50/86/82/496508682.db2.gz JEYQGULNQZNRRK-ZBFHGGJFSA-N 2 0 371.447 3.114 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355812 496782175 /nfs/dbraw/zinc/78/21/75/496782175.db2.gz CQOLYMUDEMKHMK-RVHYNSKXSA-N 2 0 358.526 3.299 20 10 FGCDRP Cc1cc(Br)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1O ZINC000775199353 723970527 /nfs/dbraw/zinc/97/05/27/723970527.db2.gz BLVLEUPHGFKARP-UHFFFAOYSA-N 2 0 353.304 3.427 20 10 FGCDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775491195 723995407 /nfs/dbraw/zinc/99/54/07/723995407.db2.gz BLNDYHACHYFQNQ-ZWKOTPCHSA-N 2 0 353.938 3.358 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000808696499 725213757 /nfs/dbraw/zinc/21/37/57/725213757.db2.gz VMFMYFNGZFFOCL-GDBMZVCRSA-N 2 0 351.922 3.173 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901845 727287594 /nfs/dbraw/zinc/28/75/94/727287594.db2.gz ZBBRYIUNAXOKAA-MPGHIAIKSA-N 2 0 353.457 3.364 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000824884050 729363666 /nfs/dbraw/zinc/36/36/66/729363666.db2.gz SJKOFCLLRMWZMM-UHFFFAOYSA-N 2 0 352.906 3.431 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000848527367 731175624 /nfs/dbraw/zinc/17/56/24/731175624.db2.gz AKIBVLWGSJPMQA-NWDGAFQWSA-N 2 0 357.292 3.156 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510567 731366948 /nfs/dbraw/zinc/36/69/48/731366948.db2.gz YITUMFLOWNZUET-KDOFPFPSSA-N 2 0 360.885 3.463 20 10 FGCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862367533 732817436 /nfs/dbraw/zinc/81/74/36/732817436.db2.gz MAYBDKVVUJTCNB-CQSZACIVSA-N 2 0 353.304 3.318 20 10 FGCDRP COc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000184699738 496497967 /nfs/dbraw/zinc/49/79/67/496497967.db2.gz XKIBMUZYXVBWCQ-UHFFFAOYSA-N 2 0 368.905 3.131 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(O)c1C ZINC000273415446 496799428 /nfs/dbraw/zinc/79/94/28/496799428.db2.gz IPHLWBMRSGRPHN-XLIONFOSSA-N 2 0 354.494 3.426 20 10 FGCDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000126213317 700745327 /nfs/dbraw/zinc/74/53/27/700745327.db2.gz YSYMVTAZEAOXGM-OAHLLOKOSA-N 2 0 351.922 3.169 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614155 723455269 /nfs/dbraw/zinc/45/52/69/723455269.db2.gz OIGCZXKZDITAKA-ZWKOTPCHSA-N 2 0 368.352 3.454 20 10 FGCDRP Oc1ccc(Br)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420130 731355036 /nfs/dbraw/zinc/35/50/36/731355036.db2.gz MKYPUEUSIBQANH-UHFFFAOYSA-N 2 0 353.304 3.366 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1O ZINC000280022175 497622914 /nfs/dbraw/zinc/62/29/14/497622914.db2.gz HMJRJFDHDGZHGH-IBGZPJMESA-N 2 0 354.498 3.088 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC000284926203 497944034 /nfs/dbraw/zinc/94/40/34/497944034.db2.gz DIPJYECLFSVSHC-QGZVFWFLSA-N 2 0 369.509 3.151 20 10 FGCDRP COc1cc(O)c(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1OC ZINC000360777244 498307530 /nfs/dbraw/zinc/30/75/30/498307530.db2.gz KOWSHGMJKGKEEB-MRXNPFEDSA-N 2 0 360.498 3.106 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1O ZINC000368402226 499292553 /nfs/dbraw/zinc/29/25/53/499292553.db2.gz JODBLJQYFGAUJG-KSSFIOAISA-N 2 0 362.905 3.260 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)cc2)CC1 ZINC000328616634 536421223 /nfs/dbraw/zinc/42/12/23/536421223.db2.gz BWTLTSAXGRVDIC-FYYLOGMGSA-N 2 0 365.521 3.306 20 10 FGCDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824894437 729363894 /nfs/dbraw/zinc/36/38/94/729363894.db2.gz FDFJNOVFHYNORC-MRXNPFEDSA-N 2 0 371.319 3.087 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)cc1O ZINC000850499963 731364766 /nfs/dbraw/zinc/36/47/66/731364766.db2.gz BEPWYELEWRXLPV-UONOGXRCSA-N 2 0 372.351 3.077 20 10 FGCDRP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CN1CC[NH+](C)CC1 ZINC000264373439 496884943 /nfs/dbraw/zinc/88/49/43/496884943.db2.gz MDRUKYBNOWMJOX-GOSISDBHSA-N 2 0 353.510 3.032 20 10 FGCDRP Cc1cc(Cl)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000271881350 497479777 /nfs/dbraw/zinc/47/97/77/497479777.db2.gz VCRRFZSYGPDSHI-UHFFFAOYSA-N 2 0 365.949 3.344 20 10 FGCDRP COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027152 498362657 /nfs/dbraw/zinc/36/26/57/498362657.db2.gz WIKIHQYTUHGQSD-HNNXBMFYSA-N 2 0 371.481 3.322 20 10 FGCDRP Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000297622355 498515068 /nfs/dbraw/zinc/51/50/68/498515068.db2.gz IYWLZXVFYSXZKB-FQEVSTJZSA-N 2 0 352.478 3.126 20 10 FGCDRP CN(C)c1ccc(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000363663742 498930517 /nfs/dbraw/zinc/93/05/17/498930517.db2.gz UQRSQQSWJNSUBU-UHFFFAOYSA-N 2 0 358.574 3.039 20 10 FGCDRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000363756969 498976854 /nfs/dbraw/zinc/97/68/54/498976854.db2.gz JFBYJBNZFRGLQJ-MJGOQNOKSA-N 2 0 368.525 3.381 20 10 FGCDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623647 499236784 /nfs/dbraw/zinc/23/67/84/499236784.db2.gz AMEFTALLXZXJRY-TZIWHRDSSA-N 2 0 370.585 3.496 20 10 FGCDRP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000754795924 722945979 /nfs/dbraw/zinc/94/59/79/722945979.db2.gz RDIOMYUCSKBWES-GBESFXJTSA-N 2 0 363.933 3.226 20 10 FGCDRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216342 725297440 /nfs/dbraw/zinc/29/74/40/725297440.db2.gz HYPYGOQOBNUEJV-BBRMVZONSA-N 2 0 359.436 3.088 20 10 FGCDRP [NH3+]CC1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000817903726 727287787 /nfs/dbraw/zinc/28/77/87/727287787.db2.gz TWMNWVWNOYUGLM-UHFFFAOYSA-N 2 0 353.457 3.364 20 10 FGCDRP COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000826814578 729416192 /nfs/dbraw/zinc/41/61/92/729416192.db2.gz FECVUFDBSWLSEZ-UHFFFAOYSA-N 2 0 368.905 3.035 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087152 730209202 /nfs/dbraw/zinc/20/92/02/730209202.db2.gz NFKQOUOOBHODND-XJKSGUPXSA-N 2 0 353.304 3.427 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126619 730589004 /nfs/dbraw/zinc/58/90/04/730589004.db2.gz LWGITGGNTOJKJV-UONOGXRCSA-N 2 0 353.304 3.366 20 10 FGCDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912723 730788593 /nfs/dbraw/zinc/78/85/93/730788593.db2.gz WKAPIZUXVRRPPF-VYDXJSESSA-N 2 0 369.303 3.016 20 10 FGCDRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607101 742432721 /nfs/dbraw/zinc/43/27/21/742432721.db2.gz LCCDSJGZUZWAEK-GKVSMKOHSA-N 2 0 367.474 3.251 20 10 FGCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492260 495597788 /nfs/dbraw/zinc/59/77/88/495597788.db2.gz WLKUIZHJGFHLMD-IAGOWNOFSA-N 2 0 358.526 3.423 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492204 495598224 /nfs/dbraw/zinc/59/82/24/495598224.db2.gz WLKUIZHJGFHLMD-IRXDYDNUSA-N 2 0 358.526 3.423 20 10 FGCDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000160151806 495896970 /nfs/dbraw/zinc/89/69/70/495896970.db2.gz WXGXNHYDOFBUAL-IBGZPJMESA-N 2 0 358.574 3.354 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000185084929 496653089 /nfs/dbraw/zinc/65/30/89/496653089.db2.gz IYEGVHJTNXNTNN-GOSISDBHSA-N 2 0 353.510 3.299 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnn3C(C)C)cc2F)CC1 ZINC000281040383 497996797 /nfs/dbraw/zinc/99/67/97/497996797.db2.gz ZIKFWWGRYAPGDM-UHFFFAOYSA-N 2 0 359.493 3.035 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230307 498331922 /nfs/dbraw/zinc/33/19/22/498331922.db2.gz STXSGDXCRZXKIR-ICSRJNTNSA-N 2 0 358.457 3.339 20 10 FGCDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000769515042 723688520 /nfs/dbraw/zinc/68/85/20/723688520.db2.gz NFBFSMASNNAOKN-INIZCTEOSA-N 2 0 371.319 3.087 20 10 FGCDRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(Cl)ccc1O ZINC000775541171 723999129 /nfs/dbraw/zinc/99/91/29/723999129.db2.gz RGFKLMQJVFCIJB-SJORKVTESA-N 2 0 369.937 3.179 20 10 FGCDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817932282 727288415 /nfs/dbraw/zinc/28/84/15/727288415.db2.gz URCVNJPMHAWCCU-WBVHZDCISA-N 2 0 353.938 3.420 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841754431 730271017 /nfs/dbraw/zinc/27/10/17/730271017.db2.gz RMXFVXYJRIIPSR-KSSFIOAISA-N 2 0 360.885 3.463 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000848518244 731174303 /nfs/dbraw/zinc/17/43/03/731174303.db2.gz JJFSZBHPWNGKMK-RYUDHWBXSA-N 2 0 369.303 3.298 20 10 FGCDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000850500781 731365349 /nfs/dbraw/zinc/36/53/49/731365349.db2.gz JYDGDPZQQOAXJJ-KBPBESRZSA-N 2 0 372.351 3.077 20 10 FGCDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1N(C)C ZINC000293866032 498516732 /nfs/dbraw/zinc/51/67/32/498516732.db2.gz SFCQDUSQNHMMMS-UHFFFAOYSA-N 2 0 358.574 3.051 20 10 FGCDRP CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000372522041 499138675 /nfs/dbraw/zinc/13/86/75/499138675.db2.gz MJPVFWAYLCYAGE-JXFKEZNVSA-N 2 0 371.456 3.254 20 10 FGCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371471001 499331468 /nfs/dbraw/zinc/33/14/68/499331468.db2.gz QCJNTCUAOUQWOW-YPAWHYETSA-N 2 0 357.542 3.360 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000378522542 499527709 /nfs/dbraw/zinc/52/77/09/499527709.db2.gz SPCNDYZGNYJRSP-IIBYNOLFSA-N 2 0 356.466 3.192 20 10 FGCDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733406 705009889 /nfs/dbraw/zinc/00/98/89/705009889.db2.gz PHOPYCZWIQFQKO-QGZVFWFLSA-N 2 0 351.510 3.435 20 10 FGCDRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000817898225 727287271 /nfs/dbraw/zinc/28/72/71/727287271.db2.gz CJQLHMZZLCVWOW-GPANFISMSA-N 2 0 353.457 3.364 20 10 FGCDRP Brc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841030520 730204721 /nfs/dbraw/zinc/20/47/21/730204721.db2.gz SOSVIOFFAHJQGY-UHFFFAOYSA-N 2 0 352.320 3.281 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]CC2([NH3+])CCCCCC2)c1O ZINC000841042970 730205667 /nfs/dbraw/zinc/20/56/67/730205667.db2.gz MJDPRBSIVWXITK-UHFFFAOYSA-N 2 0 357.292 3.305 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506869 731366499 /nfs/dbraw/zinc/36/64/99/731366499.db2.gz CJRHDBIKYFNIDE-KSSFIOAISA-N 2 0 360.885 3.463 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779050823 724384758 /nfs/dbraw/zinc/38/47/58/724384758.db2.gz QYKFAAOCKPMPLH-CQSZACIVSA-N 2 0 373.335 3.472 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740488 494849950 /nfs/dbraw/zinc/84/99/50/494849950.db2.gz XMNKNNDUKRHLJY-KRWDZBQOSA-N 2 0 371.500 3.311 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492244 495598070 /nfs/dbraw/zinc/59/80/70/495598070.db2.gz WLKUIZHJGFHLMD-DLBZAZTESA-N 2 0 358.526 3.423 20 10 FGCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000186519714 496028764 /nfs/dbraw/zinc/02/87/64/496028764.db2.gz MSTRQIYKFAVZLD-QFBILLFUSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587721 496058477 /nfs/dbraw/zinc/05/84/77/496058477.db2.gz QSDSJWDAMNNVKP-UXHICEINSA-N 2 0 358.574 3.354 20 10 FGCDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000162491058 496360278 /nfs/dbraw/zinc/36/02/78/496360278.db2.gz SNELSLKOVIMOCW-GOSISDBHSA-N 2 0 362.537 3.104 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191207761 497743918 /nfs/dbraw/zinc/74/39/18/497743918.db2.gz OGLXYRRRCDLHPT-ZDUSSCGKSA-N 2 0 350.409 3.462 20 10 FGCDRP COc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(O)c1 ZINC000365562512 498533933 /nfs/dbraw/zinc/53/39/33/498533933.db2.gz QGJIQJOREYZTJS-UHFFFAOYSA-N 2 0 369.509 3.221 20 10 FGCDRP COc1c(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826982 498657548 /nfs/dbraw/zinc/65/75/48/498657548.db2.gz RFBBHAPAGZBMDJ-OAHLLOKOSA-N 2 0 374.441 3.294 20 10 FGCDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727300 713610674 /nfs/dbraw/zinc/61/06/74/713610674.db2.gz IXYSJNNVWXBTBI-SWLSCSKDSA-N 2 0 371.319 3.325 20 10 FGCDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000769515046 723688485 /nfs/dbraw/zinc/68/84/85/723688485.db2.gz NFBFSMASNNAOKN-MRXNPFEDSA-N 2 0 371.319 3.087 20 10 FGCDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1O ZINC000775503679 723996682 /nfs/dbraw/zinc/99/66/82/723996682.db2.gz MEUPFWKNRAQZCI-MAUKXSAKSA-N 2 0 351.922 3.255 20 10 FGCDRP Cc1cc(Cl)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1O ZINC000775668397 724020411 /nfs/dbraw/zinc/02/04/11/724020411.db2.gz YQQXHSUXSGYOBV-UHFFFAOYSA-N 2 0 352.906 3.288 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000808675083 725212992 /nfs/dbraw/zinc/21/29/92/725212992.db2.gz VXWHSDRTWMTYLK-MAUKXSAKSA-N 2 0 353.938 3.277 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903135 727287565 /nfs/dbraw/zinc/28/75/65/727287565.db2.gz ILWOGJZPSNUJIW-KDOFPFPSSA-N 2 0 353.457 3.235 20 10 FGCDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817932279 727288289 /nfs/dbraw/zinc/28/82/89/727288289.db2.gz URCVNJPMHAWCCU-NVXWUHKLSA-N 2 0 353.938 3.420 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840936869 730194090 /nfs/dbraw/zinc/19/40/90/730194090.db2.gz NISZIRFSQZQVOW-KRWDZBQOSA-N 2 0 360.885 3.210 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000850357693 731348062 /nfs/dbraw/zinc/34/80/62/731348062.db2.gz RVZGQVFFZFQSLC-QGZVFWFLSA-N 2 0 360.885 3.210 20 10 FGCDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000873240331 735742891 /nfs/dbraw/zinc/74/28/91/735742891.db2.gz OFFGCQSTXUOHFK-BZUAXINKSA-N 2 0 351.922 3.345 20 10 FGCDRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607103 742432640 /nfs/dbraw/zinc/43/26/40/742432640.db2.gz LCCDSJGZUZWAEK-SSOJOUAXSA-N 2 0 367.474 3.251 20 10 FGCDRP C[NH+](C)CC[C@@H](NCc1cc(Br)ccc1O)c1cccnc1 ZINC000922629975 758965184 /nfs/dbraw/zinc/96/51/84/758965184.db2.gz BHEUWVGIKJMQAF-MRXNPFEDSA-N 2 0 364.287 3.332 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1O ZINC000290064768 498415475 /nfs/dbraw/zinc/41/54/75/498415475.db2.gz FKQQDZADFNMEIB-UHFFFAOYSA-N 2 0 363.889 3.369 20 10 FGCDRP C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000293887376 498523619 /nfs/dbraw/zinc/52/36/19/498523619.db2.gz VTQDSUBLZDRMSD-SIKLNZKXSA-N 2 0 367.537 3.292 20 10 FGCDRP C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732095 499052754 /nfs/dbraw/zinc/05/27/54/499052754.db2.gz WBZGVFMCSCSBIY-MNOVXSKESA-N 2 0 368.250 3.404 20 10 FGCDRP C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732094 499053069 /nfs/dbraw/zinc/05/30/69/499053069.db2.gz WBZGVFMCSCSBIY-GHMZBOCLSA-N 2 0 368.250 3.404 20 10 FGCDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727304 713610724 /nfs/dbraw/zinc/61/07/24/713610724.db2.gz IXYSJNNVWXBTBI-WFASDCNBSA-N 2 0 371.319 3.325 20 10 FGCDRP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000754795925 722945950 /nfs/dbraw/zinc/94/59/50/722945950.db2.gz RDIOMYUCSKBWES-QYZOEREBSA-N 2 0 363.933 3.226 20 10 FGCDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890461 727287103 /nfs/dbraw/zinc/28/71/03/727287103.db2.gz YGZLMQDRDIYJLE-DYESRHJHSA-N 2 0 355.551 3.288 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087147 730209083 /nfs/dbraw/zinc/20/90/83/730209083.db2.gz NFKQOUOOBHODND-BBRMVZONSA-N 2 0 353.304 3.427 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000848519346 731174071 /nfs/dbraw/zinc/17/40/71/731174071.db2.gz RKMXCCCYIPXADO-FPMFFAJLSA-N 2 0 369.303 3.441 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000848524631 731175192 /nfs/dbraw/zinc/17/51/92/731175192.db2.gz JPPKHLXOUWUBOJ-NSHDSACASA-N 2 0 357.292 3.156 20 10 FGCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393127 496508843 /nfs/dbraw/zinc/50/88/43/496508843.db2.gz JEYQGULNQZNRRK-GDBMZVCRSA-N 2 0 371.447 3.114 20 10 FGCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158449887 496704796 /nfs/dbraw/zinc/70/47/96/496704796.db2.gz GZPNQYAJPDVNLC-SFHVURJKSA-N 2 0 367.541 3.140 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293779606 498487145 /nfs/dbraw/zinc/48/71/45/498487145.db2.gz QBKWYCZZYGFGTB-KNQAVFIVSA-N 2 0 367.537 3.292 20 10 FGCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377246549 499673727 /nfs/dbraw/zinc/67/37/27/499673727.db2.gz UYBQYJJPJDBMSP-NFBKMPQASA-N 2 0 370.585 3.135 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000825173166 729373551 /nfs/dbraw/zinc/37/35/51/729373551.db2.gz JGVYWWCNRMLJGV-UHFFFAOYSA-N 2 0 351.922 3.002 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000883289839 737547993 /nfs/dbraw/zinc/54/79/93/737547993.db2.gz BJOZPXUMRQIXGY-SFHVURJKSA-N 2 0 356.901 3.264 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779050820 724384810 /nfs/dbraw/zinc/38/48/10/724384810.db2.gz QYKFAAOCKPMPLH-AWEZNQCLSA-N 2 0 373.335 3.472 20 10 FGCDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132882 494830962 /nfs/dbraw/zinc/83/09/62/494830962.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 2 0 365.521 3.271 20 10 FGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274418363 497093461 /nfs/dbraw/zinc/09/34/61/497093461.db2.gz GLUNJBSTSYTNLV-GOSISDBHSA-N 2 0 353.510 3.175 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191207776 497744148 /nfs/dbraw/zinc/74/41/48/497744148.db2.gz OGLXYRRRCDLHPT-CYBMUJFWSA-N 2 0 350.409 3.462 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1 ZINC000293592412 498423464 /nfs/dbraw/zinc/42/34/64/498423464.db2.gz FOBNSKLAJYHBBC-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1 ZINC000293592418 498423614 /nfs/dbraw/zinc/42/36/14/498423614.db2.gz FOBNSKLAJYHBBC-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000293887379 498523555 /nfs/dbraw/zinc/52/35/55/498523555.db2.gz VTQDSUBLZDRMSD-UGKGYDQZSA-N 2 0 367.537 3.292 20 10 FGCDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000368595653 499311642 /nfs/dbraw/zinc/31/16/42/499311642.db2.gz XRAZZBRKXITPOT-GOSISDBHSA-N 2 0 353.510 3.005 20 10 FGCDRP NC1(C[NH2+]Cc2c(O)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000841104123 730211648 /nfs/dbraw/zinc/21/16/48/730211648.db2.gz NXUALVQAIKQEIT-UHFFFAOYSA-N 2 0 359.901 3.129 20 10 FGCDRP C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850449355 731358521 /nfs/dbraw/zinc/35/85/21/731358521.db2.gz WGFXHPCUYGAMOP-KRWDZBQOSA-N 2 0 365.562 3.399 20 10 FGCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014656 496622543 /nfs/dbraw/zinc/62/25/43/496622543.db2.gz WKVXWPPOBIGDPN-SFHVURJKSA-N 2 0 359.558 3.339 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903137 727287449 /nfs/dbraw/zinc/28/74/49/727287449.db2.gz ILWOGJZPSNUJIW-RDTXWAMCSA-N 2 0 353.457 3.235 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000817903056 727287548 /nfs/dbraw/zinc/28/75/48/727287548.db2.gz GFXKEKMSQGXJQE-XYPWUTKMSA-N 2 0 351.441 3.129 20 10 FGCDRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1O ZINC000817975557 727289993 /nfs/dbraw/zinc/28/99/93/727289993.db2.gz WMYXWOXYBXWHSX-HNNXBMFYSA-N 2 0 360.420 3.468 20 10 FGCDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)O1 ZINC000858141821 732185338 /nfs/dbraw/zinc/18/53/38/732185338.db2.gz RHODWODXMQFTCI-HUUCEWRRSA-N 2 0 355.473 3.010 20 10 FGCDRP C[NH+]1CCC2(CCC[N@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862353171 732814260 /nfs/dbraw/zinc/81/42/60/732814260.db2.gz VJAXMXJAOISJQI-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916537 495771490 /nfs/dbraw/zinc/77/14/90/495771490.db2.gz XYVRUNINHGYFDM-QZTJIDSGSA-N 2 0 362.537 3.103 20 10 FGCDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000160151926 495896442 /nfs/dbraw/zinc/89/64/42/495896442.db2.gz WXGXNHYDOFBUAL-LJQANCHMSA-N 2 0 358.574 3.354 20 10 FGCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177826094 496212955 /nfs/dbraw/zinc/21/29/55/496212955.db2.gz KUJQZIHKUKRGKK-SFHVURJKSA-N 2 0 367.541 3.140 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C(C)C)nc3C)cc2F)CC1 ZINC000281510900 498176638 /nfs/dbraw/zinc/17/66/38/498176638.db2.gz XJYUQYGZAKFYEA-UHFFFAOYSA-N 2 0 373.520 3.343 20 10 FGCDRP COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828043 498658820 /nfs/dbraw/zinc/65/88/20/498658820.db2.gz TZTNSNKGCOFWSM-YJBOKZPZSA-N 2 0 371.437 3.092 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295176483 498933929 /nfs/dbraw/zinc/93/39/29/498933929.db2.gz MCPAAGXYKMYDIX-GOSISDBHSA-N 2 0 372.582 3.110 20 10 FGCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371470998 499331384 /nfs/dbraw/zinc/33/13/84/499331384.db2.gz QCJNTCUAOUQWOW-BHIFYINESA-N 2 0 357.542 3.360 20 10 FGCDRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208031 725296833 /nfs/dbraw/zinc/29/68/33/725296833.db2.gz RLLLHMYNCJQEHB-MRXNPFEDSA-N 2 0 359.436 3.089 20 10 FGCDRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000817898226 727287227 /nfs/dbraw/zinc/28/72/27/727287227.db2.gz CJQLHMZZLCVWOW-UYSNPLJNSA-N 2 0 353.457 3.364 20 10 FGCDRP C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817903184 727287602 /nfs/dbraw/zinc/28/76/02/727287602.db2.gz JNPBRIPIHIIGSS-KBXCAEBGSA-N 2 0 353.457 3.377 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000840913258 730190622 /nfs/dbraw/zinc/19/06/22/730190622.db2.gz VHFZHNWQZSLWLU-UHFFFAOYSA-N 2 0 352.906 3.288 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1O ZINC000852754048 731630410 /nfs/dbraw/zinc/63/04/10/731630410.db2.gz NLYOIINLNKHYFB-HNNXBMFYSA-N 2 0 350.890 3.460 20 10 FGCDRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000883289299 737547912 /nfs/dbraw/zinc/54/79/12/737547912.db2.gz KDSHXFLBPNYFNF-GOSISDBHSA-N 2 0 356.539 3.371 20 10 FGCDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccccc2O)c1)C1CCOCC1 ZINC000076399878 493885463 /nfs/dbraw/zinc/88/54/63/493885463.db2.gz ZZARIHVCNOXWNA-UHFFFAOYSA-N 2 0 370.493 3.172 20 10 FGCDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000158483783 496711148 /nfs/dbraw/zinc/71/11/48/496711148.db2.gz OPEIWXUXGBHPMS-NRFANRHFSA-N 2 0 367.541 3.140 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1 ZINC000293637151 498436863 /nfs/dbraw/zinc/43/68/63/498436863.db2.gz HWBGXOISNBRUPQ-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000293714567 498464949 /nfs/dbraw/zinc/46/49/49/498464949.db2.gz UZKUXMKHUIWQNG-INIZCTEOSA-N 2 0 364.848 3.041 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767856 725266660 /nfs/dbraw/zinc/26/66/60/725266660.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 2 0 353.304 3.379 20 10 FGCDRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216932 725297664 /nfs/dbraw/zinc/29/76/64/725297664.db2.gz STPVGMCCNYEDKE-CZUORRHYSA-N 2 0 359.436 3.088 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1O ZINC000817416199 727249373 /nfs/dbraw/zinc/24/93/73/727249373.db2.gz QAWYXNQFKGNLND-UHFFFAOYSA-N 2 0 357.292 3.126 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000846227303 730937957 /nfs/dbraw/zinc/93/79/57/730937957.db2.gz NOOVJOBMSGDUJW-CGTJXYLNSA-N 2 0 366.889 3.109 20 10 FGCDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000925798188 759543576 /nfs/dbraw/zinc/54/35/76/759543576.db2.gz QIYKRRSRZFTBBB-OWCLPIDISA-N 2 0 351.922 3.073 20 10 FGCDRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000127586976 494966894 /nfs/dbraw/zinc/96/68/94/494966894.db2.gz KYHRXEISKRBGFQ-UXHICEINSA-N 2 0 358.574 3.354 20 10 FGCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000186519730 496029177 /nfs/dbraw/zinc/02/91/77/496029177.db2.gz MSTRQIYKFAVZLD-VQIMIIECSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587702 496058549 /nfs/dbraw/zinc/05/85/49/496058549.db2.gz QSDSJWDAMNNVKP-PMACEKPBSA-N 2 0 358.574 3.354 20 10 FGCDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccccc2O)cc1OC ZINC000263658524 497806283 /nfs/dbraw/zinc/80/62/83/497806283.db2.gz GMEIPZVMIDVOPH-UHFFFAOYSA-N 2 0 358.482 3.411 20 10 FGCDRP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000754795923 722945985 /nfs/dbraw/zinc/94/59/85/722945985.db2.gz RDIOMYUCSKBWES-FHWLQOOXSA-N 2 0 363.933 3.226 20 10 FGCDRP CSC1(C[NH2+]Cc2cc(Br)cc(C)c2O)CC[NH+](C)CC1 ZINC000811512934 725371454 /nfs/dbraw/zinc/37/14/54/725371454.db2.gz AVWUNIQPNRVPBD-UHFFFAOYSA-N 2 0 373.360 3.380 20 10 FGCDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903300 727287758 /nfs/dbraw/zinc/28/77/58/727287758.db2.gz MJAVZWMYVUKSQS-RDTXWAMCSA-N 2 0 353.457 3.364 20 10 FGCDRP COCC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC[NH2+]CC1 ZINC000817974462 727289974 /nfs/dbraw/zinc/28/99/74/727289974.db2.gz MJYXYMFOHDPODC-ZDUSSCGKSA-N 2 0 371.319 3.130 20 10 FGCDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817980749 727290405 /nfs/dbraw/zinc/29/04/05/727290405.db2.gz NGYHDHHFSWGXHA-CVEARBPZSA-N 2 0 351.922 3.359 20 10 FGCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)CC2)CC1 ZINC000826131709 729405742 /nfs/dbraw/zinc/40/57/42/729405742.db2.gz XWMSYEDQXGBVOF-UHFFFAOYSA-N 2 0 365.949 3.346 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1O ZINC000841079299 730208316 /nfs/dbraw/zinc/20/83/16/730208316.db2.gz LGVIWPVZTBOODC-HAQNSBGRSA-N 2 0 357.292 3.018 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510564 731366865 /nfs/dbraw/zinc/36/68/65/731366865.db2.gz YITUMFLOWNZUET-KBXCAEBGSA-N 2 0 360.885 3.463 20 10 FGCDRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000873267742 735744396 /nfs/dbraw/zinc/74/43/96/735744396.db2.gz IVHVZPXBXTZIBT-HUUCEWRRSA-N 2 0 351.922 3.215 20 10 FGCDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1O ZINC000185041911 496634185 /nfs/dbraw/zinc/63/41/85/496634185.db2.gz DWCQVVQWWLIBPB-AWEZNQCLSA-N 2 0 360.889 3.043 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456620 496686141 /nfs/dbraw/zinc/68/61/41/496686141.db2.gz CEOAONIMEKZFGL-SJLPKXTDSA-N 2 0 365.468 3.473 20 10 FGCDRP Cc1cc(Cl)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000363890363 499041680 /nfs/dbraw/zinc/04/16/80/499041680.db2.gz RLOPARKTVQUHFO-UHFFFAOYSA-N 2 0 365.949 3.204 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106963 499289250 /nfs/dbraw/zinc/28/92/50/499289250.db2.gz CEOAONIMEKZFGL-WMZOPIPTSA-N 2 0 365.468 3.473 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000378522541 499527571 /nfs/dbraw/zinc/52/75/71/499527571.db2.gz SPCNDYZGNYJRSP-IERDGZPVSA-N 2 0 356.466 3.192 20 10 FGCDRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(Cl)ccc1O ZINC000775541170 723999256 /nfs/dbraw/zinc/99/92/56/723999256.db2.gz RGFKLMQJVFCIJB-IRXDYDNUSA-N 2 0 369.937 3.179 20 10 FGCDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726605 724088364 /nfs/dbraw/zinc/08/83/64/724088364.db2.gz QOOAVPMMVPXZKO-GFCCVEGCSA-N 2 0 360.329 3.376 20 10 FGCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676029 725212877 /nfs/dbraw/zinc/21/28/77/725212877.db2.gz ARNIPHZHAWNKHT-MRXNPFEDSA-N 2 0 353.938 3.422 20 10 FGCDRP CSC1(C[NH2+]Cc2cc(Br)ccc2O)CC[NH+](C)CC1 ZINC000810170562 725294355 /nfs/dbraw/zinc/29/43/55/725294355.db2.gz PJHZKUOORMOSDT-UHFFFAOYSA-N 2 0 359.333 3.072 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901843 727287495 /nfs/dbraw/zinc/28/74/95/727287495.db2.gz ZBBRYIUNAXOKAA-DAYGRLMNSA-N 2 0 353.457 3.364 20 10 FGCDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961349 727289818 /nfs/dbraw/zinc/28/98/18/727289818.db2.gz XOOSBMJBBSZJQI-KHYOSLBOSA-N 2 0 351.922 3.345 20 10 FGCDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964844 727289832 /nfs/dbraw/zinc/28/98/32/727289832.db2.gz KYFPLKWLHQSTOJ-OAHLLOKOSA-N 2 0 351.922 3.217 20 10 FGCDRP COc1cc(Br)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431470 727311168 /nfs/dbraw/zinc/31/11/68/727311168.db2.gz NNGUXDSGITXFQF-LBPRGKRZSA-N 2 0 369.303 3.127 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000846227304 730937998 /nfs/dbraw/zinc/93/79/98/730937998.db2.gz NOOVJOBMSGDUJW-JQHSSLGASA-N 2 0 366.889 3.109 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1O ZINC000848513532 731173873 /nfs/dbraw/zinc/17/38/73/731173873.db2.gz GTRGWMXSQGDNRT-NSHDSACASA-N 2 0 359.308 3.402 20 10 FGCDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137230 732184669 /nfs/dbraw/zinc/18/46/69/732184669.db2.gz KBHUYCIHMSQWDD-ZWKOTPCHSA-N 2 0 365.949 3.472 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)CC1 ZINC000883283596 737546915 /nfs/dbraw/zinc/54/69/15/737546915.db2.gz LJDVMBLDHOHFCQ-UHFFFAOYSA-N 2 0 352.507 3.338 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C4CCC4)s3)cc2)CC1 ZINC000883283665 737547045 /nfs/dbraw/zinc/54/70/45/737547045.db2.gz NQDRJFJIBOMLFD-UHFFFAOYSA-N 2 0 356.539 3.452 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000155240029 495887723 /nfs/dbraw/zinc/88/77/23/495887723.db2.gz PVVAKBWOKGYGIQ-NRFANRHFSA-N 2 0 353.510 3.381 20 10 FGCDRP COc1cc(O)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935496 /nfs/dbraw/zinc/93/54/96/495935496.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 2 0 370.493 3.363 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1C ZINC000273393167 496793599 /nfs/dbraw/zinc/79/35/99/496793599.db2.gz LIKIEZSFZMDXAK-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280144727 497663053 /nfs/dbraw/zinc/66/30/53/497663053.db2.gz PXJPUDYETREKPR-LJQANCHMSA-N 2 0 354.498 3.088 20 10 FGCDRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000363756965 498976908 /nfs/dbraw/zinc/97/69/08/498976908.db2.gz JFBYJBNZFRGLQJ-HKUYNNGSSA-N 2 0 368.525 3.381 20 10 FGCDRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)CC1 ZINC000284066054 499041158 /nfs/dbraw/zinc/04/11/58/499041158.db2.gz QFXSSAGLPKOCSC-UHFFFAOYSA-N 2 0 352.478 3.384 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000808675082 725212914 /nfs/dbraw/zinc/21/29/14/725212914.db2.gz VXWHSDRTWMTYLK-CRAIPNDOSA-N 2 0 353.938 3.277 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817898717 727287071 /nfs/dbraw/zinc/28/70/71/727287071.db2.gz JFQVUIUGPVFJOR-QGPPMGRFSA-N 2 0 351.441 3.129 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900365 727287509 /nfs/dbraw/zinc/28/75/09/727287509.db2.gz OIFUPKHNAGLYLS-VKJFTORMSA-N 2 0 353.457 3.235 20 10 FGCDRP COc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1O ZINC000843046077 730573954 /nfs/dbraw/zinc/57/39/54/730573954.db2.gz MTQCXPIELKOTPR-OAHLLOKOSA-N 2 0 369.303 3.127 20 10 FGCDRP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1O ZINC000843426727 730620012 /nfs/dbraw/zinc/62/00/12/730620012.db2.gz IDHODWBEYWQXPA-AEFFLSMTSA-N 2 0 360.885 3.489 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1O ZINC000848518711 731174219 /nfs/dbraw/zinc/17/42/19/731174219.db2.gz LOGKRQIRTOIRNE-LBPRGKRZSA-N 2 0 357.292 3.300 20 10 FGCDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132883 494830905 /nfs/dbraw/zinc/83/09/05/494830905.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 2 0 365.521 3.271 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456733 496686477 /nfs/dbraw/zinc/68/64/77/496686477.db2.gz CEOAONIMEKZFGL-FUHWJXTLSA-N 2 0 365.468 3.473 20 10 FGCDRP CCCOc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(O)c1 ZINC000288574596 497835017 /nfs/dbraw/zinc/83/50/17/497835017.db2.gz NGWBJBDUIJAWDL-UHFFFAOYSA-N 2 0 373.497 3.196 20 10 FGCDRP COc1cc(O)c(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1OC ZINC000360777236 498307597 /nfs/dbraw/zinc/30/75/97/498307597.db2.gz KOWSHGMJKGKEEB-INIZCTEOSA-N 2 0 360.498 3.106 20 10 FGCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293779614 498486769 /nfs/dbraw/zinc/48/67/69/498486769.db2.gz QBKWYCZZYGFGTB-UGKGYDQZSA-N 2 0 367.537 3.292 20 10 FGCDRP Oc1cccc2c1[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000297622360 498515389 /nfs/dbraw/zinc/51/53/89/498515389.db2.gz IYWLZXVFYSXZKB-HXUWFJFHSA-N 2 0 352.478 3.126 20 10 FGCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000295213475 498945782 /nfs/dbraw/zinc/94/57/82/498945782.db2.gz ARRXHTCVRUIMTK-UHFFFAOYSA-N 2 0 373.566 3.321 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1O ZINC000791011430 723205396 /nfs/dbraw/zinc/20/53/96/723205396.db2.gz SXHFQROPWLGTAE-UHFFFAOYSA-N 2 0 371.319 3.375 20 10 FGCDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933159 727288454 /nfs/dbraw/zinc/28/84/54/727288454.db2.gz YRNFZNRVOBWWJW-LORHWOILSA-N 2 0 365.949 3.418 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000825341955 729379449 /nfs/dbraw/zinc/37/94/49/729379449.db2.gz XAOBNUIVOACHRJ-ZWKOTPCHSA-N 2 0 352.906 3.212 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000825478822 729384644 /nfs/dbraw/zinc/38/46/44/729384644.db2.gz GXDDCAZZZIRBSH-SFHVURJKSA-N 2 0 360.885 3.210 20 10 FGCDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249806 732798830 /nfs/dbraw/zinc/79/88/30/732798830.db2.gz DCLISFNGVJSBOK-AWEZNQCLSA-N 2 0 371.319 3.087 20 10 FGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159141021 495667882 /nfs/dbraw/zinc/66/78/82/495667882.db2.gz LZTAZQCSQHMCNU-GOSISDBHSA-N 2 0 367.541 3.140 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916419 495772036 /nfs/dbraw/zinc/77/20/36/495772036.db2.gz XYVRUNINHGYFDM-ZWKOTPCHSA-N 2 0 362.537 3.103 20 10 FGCDRP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CN1CC[NH+](C)CC1 ZINC000264373445 496885038 /nfs/dbraw/zinc/88/50/38/496885038.db2.gz MDRUKYBNOWMJOX-SFHVURJKSA-N 2 0 353.510 3.032 20 10 FGCDRP CCCOc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC000372412923 499432055 /nfs/dbraw/zinc/43/20/55/499432055.db2.gz CCARRDBWARLAIG-UHFFFAOYSA-N 2 0 362.514 3.256 20 10 FGCDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000378343267 499504279 /nfs/dbraw/zinc/50/42/79/499504279.db2.gz SRHCVHFENWZCRV-UHFFFAOYSA-N 2 0 351.922 3.036 20 10 FGCDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775491194 723995203 /nfs/dbraw/zinc/99/52/03/723995203.db2.gz BLNDYHACHYFQNQ-ROUUACIJSA-N 2 0 353.938 3.358 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1O ZINC000775688244 724025621 /nfs/dbraw/zinc/02/56/21/724025621.db2.gz OTKLSPMVAVHWJX-UHFFFAOYSA-N 2 0 371.319 3.006 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000800285837 724175514 /nfs/dbraw/zinc/17/55/14/724175514.db2.gz CYONPRZHUKOCED-HXUWFJFHSA-N 2 0 355.913 3.349 20 10 FGCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000809755199 725265384 /nfs/dbraw/zinc/26/53/84/725265384.db2.gz HYLMSZRPTUZWEJ-CQSZACIVSA-N 2 0 353.304 3.318 20 10 FGCDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889707 727287094 /nfs/dbraw/zinc/28/70/94/727287094.db2.gz VBMAJMXIJOZEFQ-OAHLLOKOSA-N 2 0 356.539 3.253 20 10 FGCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825928544 729399813 /nfs/dbraw/zinc/39/98/13/729399813.db2.gz YMTIMAGTLNELGS-CQSZACIVSA-N 2 0 353.304 3.318 20 10 FGCDRP CC(C)Cc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283735 737547124 /nfs/dbraw/zinc/54/71/24/737547124.db2.gz RDZAUACSGLSYGJ-UHFFFAOYSA-N 2 0 358.555 3.383 20 10 FGCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295176484 498934058 /nfs/dbraw/zinc/93/40/58/498934058.db2.gz MCPAAGXYKMYDIX-SFHVURJKSA-N 2 0 372.582 3.110 20 10 FGCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000295535922 499045532 /nfs/dbraw/zinc/04/55/32/499045532.db2.gz XBMVPPOCAJDCDQ-UHFFFAOYSA-N 2 0 372.582 3.112 20 10 FGCDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775491188 723995276 /nfs/dbraw/zinc/99/52/76/723995276.db2.gz BLNDYHACHYFQNQ-MSOLQXFVSA-N 2 0 353.938 3.358 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817898716 727287223 /nfs/dbraw/zinc/28/72/23/727287223.db2.gz JFQVUIUGPVFJOR-IUOOZAAYSA-N 2 0 351.441 3.129 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817986844 727290715 /nfs/dbraw/zinc/29/07/15/727290715.db2.gz UPROQGVKFMMIGG-VVLHAWIVSA-N 2 0 363.933 3.215 20 10 FGCDRP Oc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000824556005 729346758 /nfs/dbraw/zinc/34/67/58/729346758.db2.gz KXALRFMYYJLKDJ-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000840946157 730194890 /nfs/dbraw/zinc/19/48/90/730194890.db2.gz HBADSPUTDHFGMF-UHFFFAOYSA-N 2 0 363.889 3.369 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1O ZINC000846227305 730938065 /nfs/dbraw/zinc/93/80/65/730938065.db2.gz NOOVJOBMSGDUJW-KBAYOESNSA-N 2 0 366.889 3.109 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000848518246 731174137 /nfs/dbraw/zinc/17/41/37/731174137.db2.gz JJFSZBHPWNGKMK-VXGBXAGGSA-N 2 0 369.303 3.298 20 10 FGCDRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cc(Cl)ccc1O ZINC000854231310 731806477 /nfs/dbraw/zinc/80/64/77/731806477.db2.gz JHCUWKYPWQVWOR-QGZVFWFLSA-N 2 0 367.921 3.077 20 10 FGCDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000925775853 759534396 /nfs/dbraw/zinc/53/43/96/759534396.db2.gz HTJLFNHHNMJQGC-QWRGUYRKSA-N 2 0 363.246 3.359 20 10 FGCDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000127586758 494966682 /nfs/dbraw/zinc/96/66/82/494966682.db2.gz KYHRXEISKRBGFQ-PMACEKPBSA-N 2 0 358.574 3.354 20 10 FGCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393239 496508486 /nfs/dbraw/zinc/50/84/86/496508486.db2.gz JEYQGULNQZNRRK-GOEBONIOSA-N 2 0 371.447 3.114 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230317 498331716 /nfs/dbraw/zinc/33/17/16/498331716.db2.gz STXSGDXCRZXKIR-UYAOXDASSA-N 2 0 358.457 3.339 20 10 FGCDRP [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000293714571 498465043 /nfs/dbraw/zinc/46/50/43/498465043.db2.gz UZKUXMKHUIWQNG-MRXNPFEDSA-N 2 0 364.848 3.041 20 10 FGCDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000371221115 499299658 /nfs/dbraw/zinc/29/96/58/499299658.db2.gz VQYQDWKOMNAVJL-PMPSAXMXSA-N 2 0 371.447 3.484 20 10 FGCDRP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377711226 499723774 /nfs/dbraw/zinc/72/37/74/499723774.db2.gz ZBLPGNQAZBUKMI-UHFFFAOYSA-N 2 0 366.509 3.019 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(SC)CCC3)cc2F)CC1 ZINC000811478488 725368232 /nfs/dbraw/zinc/36/82/32/725368232.db2.gz IZEWKFVMQFJUDK-UHFFFAOYSA-N 2 0 351.535 3.343 20 10 FGCDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825762749 729394430 /nfs/dbraw/zinc/39/44/30/729394430.db2.gz RQLSWBQFLMDKHV-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000826943128 729419552 /nfs/dbraw/zinc/41/95/52/729419552.db2.gz VCBRTCNLOCLGCM-GOSISDBHSA-N 2 0 360.885 3.210 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841028569 730204710 /nfs/dbraw/zinc/20/47/10/730204710.db2.gz DJRWYSKEDJDKLG-NSHDSACASA-N 2 0 365.271 3.473 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1O ZINC000846227306 730938086 /nfs/dbraw/zinc/93/80/86/730938086.db2.gz NOOVJOBMSGDUJW-NXHRZFHOSA-N 2 0 366.889 3.109 20 10 FGCDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCOCC2)cc1Cl ZINC000873265527 735744423 /nfs/dbraw/zinc/74/44/23/735744423.db2.gz WHJILCFSSVSDIB-NXOAAHMSSA-N 2 0 363.933 3.358 20 10 FGCDRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607102 742432681 /nfs/dbraw/zinc/43/26/81/742432681.db2.gz LCCDSJGZUZWAEK-NSYGIPOTSA-N 2 0 367.474 3.251 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740629 494849878 /nfs/dbraw/zinc/84/98/78/494849878.db2.gz XMNKNNDUKRHLJY-QGZVFWFLSA-N 2 0 371.500 3.311 20 10 FGCDRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127367027 494934448 /nfs/dbraw/zinc/93/44/48/494934448.db2.gz WJTBLYVPHOUPPN-MSOLQXFVSA-N 2 0 362.537 3.103 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(O)c1C ZINC000273612166 496854038 /nfs/dbraw/zinc/85/40/38/496854038.db2.gz WKYSOPJIPKTZEG-QGZVFWFLSA-N 2 0 369.509 3.151 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(O)c1C ZINC000273612165 496854188 /nfs/dbraw/zinc/85/41/88/496854188.db2.gz WKYSOPJIPKTZEG-KRWDZBQOSA-N 2 0 369.509 3.151 20 10 FGCDRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000289411871 498137150 /nfs/dbraw/zinc/13/71/50/498137150.db2.gz HXVIRKOODYFKEG-UHFFFAOYSA-N 2 0 370.585 3.136 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2F)CC1 ZINC000850432435 731356483 /nfs/dbraw/zinc/35/64/83/731356483.db2.gz BTPMRVNBJVTRGK-UHFFFAOYSA-N 2 0 355.448 3.145 20 10 FGCDRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578114 759508328 /nfs/dbraw/zinc/50/83/28/759508328.db2.gz SHLVIADTHONWAC-SJORKVTESA-N 2 0 351.441 3.116 20 10 FGCDRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925786601 759539205 /nfs/dbraw/zinc/53/92/05/759539205.db2.gz XBPUEGFHZHULAI-ZWNOBZJWSA-N 2 0 363.246 3.440 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155025175 495807787 /nfs/dbraw/zinc/80/77/87/495807787.db2.gz LDSVSWWZZPGXGD-WOJBJXKFSA-N 2 0 358.574 3.354 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(O)c1C ZINC000273415449 496799166 /nfs/dbraw/zinc/79/91/66/496799166.db2.gz IPHLWBMRSGRPHN-YLJYHZDGSA-N 2 0 354.494 3.426 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC000285181679 498014328 /nfs/dbraw/zinc/01/43/28/498014328.db2.gz NIFFCKCHYYTWSC-PXNSSMCTSA-N 2 0 354.494 3.426 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000285181687 498015089 /nfs/dbraw/zinc/01/50/89/498015089.db2.gz NIFFCKCHYYTWSC-YLJYHZDGSA-N 2 0 354.494 3.426 20 10 FGCDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623645 499236696 /nfs/dbraw/zinc/23/66/96/499236696.db2.gz AMEFTALLXZXJRY-FPOVZHCZSA-N 2 0 370.585 3.496 20 10 FGCDRP CCN1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000765645694 723529966 /nfs/dbraw/zinc/52/99/66/723529966.db2.gz WYAIOVUTLWNNLF-UHFFFAOYSA-N 2 0 353.457 3.331 20 10 FGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691760 725213576 /nfs/dbraw/zinc/21/35/76/725213576.db2.gz NPIUYUKDLZDVOW-GOEBONIOSA-N 2 0 353.938 3.278 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767855 725266771 /nfs/dbraw/zinc/26/67/71/725266771.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 2 0 353.304 3.379 20 10 FGCDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888820 727286830 /nfs/dbraw/zinc/28/68/30/727286830.db2.gz PCPQMSVFYAJDDE-CQSZACIVSA-N 2 0 359.436 3.149 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961351 727289672 /nfs/dbraw/zinc/28/96/72/727289672.db2.gz XOOSBMJBBSZJQI-YZVOILCLSA-N 2 0 351.922 3.345 20 10 FGCDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964843 727289885 /nfs/dbraw/zinc/28/98/85/727289885.db2.gz KYFPLKWLHQSTOJ-HNNXBMFYSA-N 2 0 351.922 3.217 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506866 731366416 /nfs/dbraw/zinc/36/64/16/731366416.db2.gz CJRHDBIKYFNIDE-KDOFPFPSSA-N 2 0 360.885 3.463 20 10 FGCDRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858140849 732184938 /nfs/dbraw/zinc/18/49/38/732184938.db2.gz IOYCPFOFFDYVGM-OKILXGFUSA-N 2 0 371.319 3.134 20 10 FGCDRP c1cc(N2CCSCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903074061 743802344 /nfs/dbraw/zinc/80/23/44/743802344.db2.gz QTSVAQYIWGZJBD-PRJVBOEPSA-N 2 0 357.567 3.487 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925578717 759508175 /nfs/dbraw/zinc/50/81/75/759508175.db2.gz YFCKSMCWXULQQA-QGZVFWFLSA-N 2 0 351.441 3.131 20 10 FGCDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000150992666 495704815 /nfs/dbraw/zinc/70/48/15/495704815.db2.gz CUCZWDMJZIANBF-IBGZPJMESA-N 2 0 358.574 3.354 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(O)c1C ZINC000273415443 496798904 /nfs/dbraw/zinc/79/89/04/496798904.db2.gz IPHLWBMRSGRPHN-PXNSSMCTSA-N 2 0 354.494 3.426 20 10 FGCDRP C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000293887373 498523539 /nfs/dbraw/zinc/52/35/39/498523539.db2.gz VTQDSUBLZDRMSD-KNQAVFIVSA-N 2 0 367.537 3.292 20 10 FGCDRP COc1c([O-])c(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828033 498658386 /nfs/dbraw/zinc/65/83/86/498658386.db2.gz TZTNSNKGCOFWSM-CRAIPNDOSA-N 2 0 371.437 3.092 20 10 FGCDRP COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000367933013 499247384 /nfs/dbraw/zinc/24/73/84/499247384.db2.gz VSDCDSWZTIUKGV-FUHWJXTLSA-N 2 0 370.493 3.410 20 10 FGCDRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(F)ccc1O ZINC000368221041 499275520 /nfs/dbraw/zinc/27/55/20/499275520.db2.gz GVICIHFXYNDPSQ-MRXNPFEDSA-N 2 0 363.521 3.378 20 10 FGCDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336665 499312313 /nfs/dbraw/zinc/31/23/13/499312313.db2.gz QGRGREHENGLGAN-QHCPKHFHSA-N 2 0 370.585 3.277 20 10 FGCDRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760655 499730148 /nfs/dbraw/zinc/73/01/48/499730148.db2.gz JXYORVYAJSTJOG-JTHBVZDNSA-N 2 0 365.521 3.306 20 10 FGCDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1O ZINC000775503681 723996943 /nfs/dbraw/zinc/99/69/43/723996943.db2.gz MEUPFWKNRAQZCI-YJBOKZPZSA-N 2 0 351.922 3.255 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000808696506 725213779 /nfs/dbraw/zinc/21/37/79/725213779.db2.gz VMFMYFNGZFFOCL-HOCLYGCPSA-N 2 0 351.922 3.173 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767857 725266495 /nfs/dbraw/zinc/26/64/95/725266495.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 2 0 353.304 3.379 20 10 FGCDRP COc1cc(Br)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431468 727311309 /nfs/dbraw/zinc/31/13/09/727311309.db2.gz NNGUXDSGITXFQF-GFCCVEGCSA-N 2 0 369.303 3.127 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124900 730588512 /nfs/dbraw/zinc/58/85/12/730588512.db2.gz KNEXAODYJKMHIN-KGLIPLIRSA-N 2 0 353.304 3.285 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000848554268 731180895 /nfs/dbraw/zinc/18/08/95/731180895.db2.gz SEXQZSVNAYVKCZ-HLVVYCRESA-N 2 0 369.303 3.439 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000848554269 731180972 /nfs/dbraw/zinc/18/09/72/731180972.db2.gz SEXQZSVNAYVKCZ-NDNKKMJESA-N 2 0 369.303 3.439 20 10 FGCDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000873240332 735742816 /nfs/dbraw/zinc/74/28/16/735742816.db2.gz OFFGCQSTXUOHFK-JYJNAYRXSA-N 2 0 351.922 3.345 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000883289838 737547879 /nfs/dbraw/zinc/54/78/79/737547879.db2.gz BJOZPXUMRQIXGY-GOSISDBHSA-N 2 0 356.901 3.264 20 10 FGCDRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578112 759508264 /nfs/dbraw/zinc/50/82/64/759508264.db2.gz SHLVIADTHONWAC-IAGOWNOFSA-N 2 0 351.441 3.116 20 10 FGCDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127367233 494934645 /nfs/dbraw/zinc/93/46/45/494934645.db2.gz WJTBLYVPHOUPPN-ZWKOTPCHSA-N 2 0 362.537 3.103 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166887 495673701 /nfs/dbraw/zinc/67/37/01/495673701.db2.gz JNDBWQLDUZNRSA-OAQYLSRUSA-N 2 0 367.541 3.140 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1O ZINC000184968408 496604018 /nfs/dbraw/zinc/60/40/18/496604018.db2.gz HUGQSPNYPYVHLZ-CQSZACIVSA-N 2 0 360.889 3.043 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1O ZINC000185041923 496634372 /nfs/dbraw/zinc/63/43/72/496634372.db2.gz DWCQVVQWWLIBPB-CQSZACIVSA-N 2 0 360.889 3.043 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C)cc1O ZINC000280243615 497693227 /nfs/dbraw/zinc/69/32/27/497693227.db2.gz WEBGDMWFCDFLRT-HXUWFJFHSA-N 2 0 369.509 3.233 20 10 FGCDRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@@H](C)C2)s1 ZINC000377777495 499731862 /nfs/dbraw/zinc/73/18/62/499731862.db2.gz BFXZAXQFUAEFNU-IFXJQAMLSA-N 2 0 357.523 3.387 20 10 FGCDRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@@H](C)C2)s1 ZINC000377777497 499732046 /nfs/dbraw/zinc/73/20/46/499732046.db2.gz BFXZAXQFUAEFNU-LIRRHRJNSA-N 2 0 357.523 3.387 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1O ZINC000841745764 730270147 /nfs/dbraw/zinc/27/01/47/730270147.db2.gz SQWMUZSRQYRFNN-CQSZACIVSA-N 2 0 360.889 3.043 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843125922 730588725 /nfs/dbraw/zinc/58/87/25/730588725.db2.gz COFQSFYYXSUJKS-AWEZNQCLSA-N 2 0 353.304 3.285 20 10 FGCDRP Oc1ccc(Br)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350235 731251434 /nfs/dbraw/zinc/25/14/34/731251434.db2.gz MLEIHJZNUKZWPJ-CQSZACIVSA-N 2 0 353.304 3.366 20 10 FGCDRP Oc1ccc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350233 731251527 /nfs/dbraw/zinc/25/15/27/731251527.db2.gz MLEIHJZNUKZWPJ-AWEZNQCLSA-N 2 0 353.304 3.366 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000850357692 731348186 /nfs/dbraw/zinc/34/81/86/731348186.db2.gz RVZGQVFFZFQSLC-KRWDZBQOSA-N 2 0 360.885 3.210 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182264997 496723341 /nfs/dbraw/zinc/72/33/41/496723341.db2.gz DOQYTOJFLXVDSR-JTSKRJEESA-N 2 0 353.510 3.170 20 10 FGCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274418368 497092864 /nfs/dbraw/zinc/09/28/64/497092864.db2.gz GLUNJBSTSYTNLV-SFHVURJKSA-N 2 0 353.510 3.175 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1O ZINC000280022179 497622960 /nfs/dbraw/zinc/62/29/60/497622960.db2.gz HMJRJFDHDGZHGH-LJQANCHMSA-N 2 0 354.498 3.088 20 10 FGCDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC1 ZINC000363891999 499042507 /nfs/dbraw/zinc/04/25/07/499042507.db2.gz VQSBNWQJLFNUSK-UHFFFAOYSA-N 2 0 367.537 3.395 20 10 FGCDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(F)ccc3O)CC2)CC1 ZINC000368592434 499311477 /nfs/dbraw/zinc/31/14/77/499311477.db2.gz QEHRUPLTTJETHC-UHFFFAOYSA-N 2 0 363.521 3.159 20 10 FGCDRP CCOCc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1OC ZINC000377297710 499677732 /nfs/dbraw/zinc/67/77/32/499677732.db2.gz KXALPEKCDBYYIV-UGKGYDQZSA-N 2 0 369.509 3.409 20 10 FGCDRP Cc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000092855910 700442378 /nfs/dbraw/zinc/44/23/78/700442378.db2.gz KVYDWGZSQMRSMS-UHFFFAOYSA-N 2 0 356.539 3.273 20 10 FGCDRP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000754795922 722945937 /nfs/dbraw/zinc/94/59/37/722945937.db2.gz RDIOMYUCSKBWES-CEXWTWQISA-N 2 0 363.933 3.226 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841011 723743383 /nfs/dbraw/zinc/74/33/83/723743383.db2.gz CITBSMBNHPVBGS-IBGZPJMESA-N 2 0 357.885 3.315 20 10 FGCDRP CCSc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC000778208778 724311403 /nfs/dbraw/zinc/31/14/03/724311403.db2.gz DGBCCNMFRBCJFC-UHFFFAOYSA-N 2 0 356.539 3.235 20 10 FGCDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216931 725297363 /nfs/dbraw/zinc/29/73/63/725297363.db2.gz STPVGMCCNYEDKE-CJNGLKHVSA-N 2 0 359.436 3.088 20 10 FGCDRP CC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817903489 727287812 /nfs/dbraw/zinc/28/78/12/727287812.db2.gz PTIDVFZQFZIHOG-ROUUACIJSA-N 2 0 353.457 3.377 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1O ZINC000817982601 727290452 /nfs/dbraw/zinc/29/04/52/727290452.db2.gz GSOQVGDEYQEANY-OOHWJJMZSA-N 2 0 351.922 3.221 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Cl)c1 ZINC000840919243 730191403 /nfs/dbraw/zinc/19/14/03/730191403.db2.gz ZERGCONIZLVMCI-UHFFFAOYSA-N 2 0 365.949 3.344 20 10 FGCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000185372218 495553510 /nfs/dbraw/zinc/55/35/10/495553510.db2.gz WUEXVQLYZFPTTH-MRXNPFEDSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185414962 495569556 /nfs/dbraw/zinc/56/95/56/495569556.db2.gz ROOAUVGWWFBCIT-DZGCQCFKSA-N 2 0 371.319 3.042 20 10 FGCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014675 496622726 /nfs/dbraw/zinc/62/27/26/496622726.db2.gz WKVXWPPOBIGDPN-GOSISDBHSA-N 2 0 359.558 3.339 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1C ZINC000273432268 496804722 /nfs/dbraw/zinc/80/47/22/496804722.db2.gz WCNOLXTYFBMZFD-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192921197 497247272 /nfs/dbraw/zinc/24/72/72/497247272.db2.gz WYSRRPHPKZZPFE-KRWDZBQOSA-N 2 0 356.466 3.021 20 10 FGCDRP C[NH+]1CCC(O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294847707 498825105 /nfs/dbraw/zinc/82/51/05/498825105.db2.gz SFMRYAXKYWPFAC-HXUWFJFHSA-N 2 0 354.494 3.112 20 10 FGCDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000368325621 499285765 /nfs/dbraw/zinc/28/57/65/499285765.db2.gz BIFFQVDRURNUPX-LPHOPBHVSA-N 2 0 357.542 3.090 20 10 FGCDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000368325620 499285861 /nfs/dbraw/zinc/28/58/61/499285861.db2.gz BIFFQVDRURNUPX-APWZRJJASA-N 2 0 357.542 3.090 20 10 FGCDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000371333918 499312024 /nfs/dbraw/zinc/31/20/24/499312024.db2.gz FMSBHTYFJQKOEW-LJQANCHMSA-N 2 0 353.510 3.146 20 10 FGCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371471000 499331517 /nfs/dbraw/zinc/33/15/17/499331517.db2.gz QCJNTCUAOUQWOW-VSKRKVRLSA-N 2 0 357.542 3.360 20 10 FGCDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817980761 727290476 /nfs/dbraw/zinc/29/04/76/727290476.db2.gz NGYHDHHFSWGXHA-JKSUJKDBSA-N 2 0 351.922 3.359 20 10 FGCDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911115 730788288 /nfs/dbraw/zinc/78/82/88/730788288.db2.gz KPJGNVYGDJGAHS-FVQBIDKESA-N 2 0 369.303 3.016 20 10 FGCDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521841 731174737 /nfs/dbraw/zinc/17/47/37/731174737.db2.gz SHDHSPSULRFIQS-NEPJUHHUSA-N 2 0 357.292 3.156 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000848537928 731177851 /nfs/dbraw/zinc/17/78/51/731177851.db2.gz PJHHDMAYOOQCJP-NSHDSACASA-N 2 0 355.276 3.076 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848558696 731181220 /nfs/dbraw/zinc/18/12/20/731181220.db2.gz RJIRMTCTLAHSDS-GMXVVIOVSA-N 2 0 357.292 3.154 20 10 FGCDRP Oc1cccc(Br)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000858196225 732191578 /nfs/dbraw/zinc/19/15/78/732191578.db2.gz KVNNYQPDFBOMLT-UHFFFAOYSA-N 2 0 353.304 3.366 20 10 FGCDRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000873271578 735744902 /nfs/dbraw/zinc/74/49/02/735744902.db2.gz IVHVZPXBXTZIBT-GJZGRUSLSA-N 2 0 351.922 3.215 20 10 FGCDRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578113 759508321 /nfs/dbraw/zinc/50/83/21/759508321.db2.gz SHLVIADTHONWAC-IRXDYDNUSA-N 2 0 351.441 3.116 20 10 FGCDRP COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000185573418 495627899 /nfs/dbraw/zinc/62/78/99/495627899.db2.gz WGMMJDBZQCKYQL-KRWDZBQOSA-N 2 0 361.530 3.002 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3C)cc2F)CC1 ZINC000278315043 497072652 /nfs/dbraw/zinc/07/26/52/497072652.db2.gz DMPDWBUZHBVVCE-UHFFFAOYSA-N 2 0 360.452 3.100 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293779600 498487215 /nfs/dbraw/zinc/48/72/15/498487215.db2.gz QBKWYCZZYGFGTB-DENIHFKCSA-N 2 0 367.537 3.292 20 10 FGCDRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000366235747 498834311 /nfs/dbraw/zinc/83/43/11/498834311.db2.gz RMDFSTMMRGPAGF-WMZOPIPTSA-N 2 0 372.488 3.395 20 10 FGCDRP COc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000367933014 499247139 /nfs/dbraw/zinc/24/71/39/499247139.db2.gz VSDCDSWZTIUKGV-SJLPKXTDSA-N 2 0 370.493 3.410 20 10 FGCDRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000371221113 499299521 /nfs/dbraw/zinc/29/95/21/499299521.db2.gz VQYQDWKOMNAVJL-OWCLPIDISA-N 2 0 371.447 3.484 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000782540742 724680751 /nfs/dbraw/zinc/68/07/51/724680751.db2.gz ZGMGZVMINMAACA-UHFFFAOYSA-N 2 0 364.287 3.084 20 10 FGCDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775491193 723995251 /nfs/dbraw/zinc/99/52/51/723995251.db2.gz BLNDYHACHYFQNQ-QZTJIDSGSA-N 2 0 353.938 3.358 20 10 FGCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888819 727286955 /nfs/dbraw/zinc/28/69/55/727286955.db2.gz PCPQMSVFYAJDDE-AWEZNQCLSA-N 2 0 359.436 3.149 20 10 FGCDRP C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817903187 727287559 /nfs/dbraw/zinc/28/75/59/727287559.db2.gz JNPBRIPIHIIGSS-RDTXWAMCSA-N 2 0 353.457 3.377 20 10 FGCDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000825143490 729372710 /nfs/dbraw/zinc/37/27/10/729372710.db2.gz FISVJQYRRQNPHG-UHFFFAOYSA-N 2 0 359.901 3.390 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1Cl ZINC000825940069 729400188 /nfs/dbraw/zinc/40/01/88/729400188.db2.gz KYXHKGYXRKJEOJ-UHFFFAOYSA-N 2 0 363.889 3.369 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841754432 730271110 /nfs/dbraw/zinc/27/11/10/730271110.db2.gz RMXFVXYJRIIPSR-RDTXWAMCSA-N 2 0 360.885 3.463 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1O ZINC000843046214 730574024 /nfs/dbraw/zinc/57/40/24/730574024.db2.gz PXBRWPVIKFPOAJ-INIZCTEOSA-N 2 0 353.304 3.427 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126617 730589025 /nfs/dbraw/zinc/58/90/25/730589025.db2.gz LWGITGGNTOJKJV-KBPBESRZSA-N 2 0 353.304 3.366 20 10 FGCDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233578 495064958 /nfs/dbraw/zinc/06/49/58/495064958.db2.gz XLBXDWTUPODYJM-HXUWFJFHSA-N 2 0 358.574 3.355 20 10 FGCDRP CN1CCC([NH+]2CCC(CC[NH2+]Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000363662665 498930542 /nfs/dbraw/zinc/93/05/42/498930542.db2.gz OVGQLUAPZOMLHM-UHFFFAOYSA-N 2 0 365.949 3.332 20 10 FGCDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000368595655 499312056 /nfs/dbraw/zinc/31/20/56/499312056.db2.gz XRAZZBRKXITPOT-SFHVURJKSA-N 2 0 353.510 3.005 20 10 FGCDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336664 499312472 /nfs/dbraw/zinc/31/24/72/499312472.db2.gz QGRGREHENGLGAN-HSZRJFAPSA-N 2 0 370.585 3.277 20 10 FGCDRP Cc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000371427101 499325364 /nfs/dbraw/zinc/32/53/64/499325364.db2.gz SQJLYCXIJXTASX-UHFFFAOYSA-N 2 0 352.906 3.429 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000378522543 499527448 /nfs/dbraw/zinc/52/74/48/499527448.db2.gz SPCNDYZGNYJRSP-KKSFZXQISA-N 2 0 356.466 3.192 20 10 FGCDRP CCOc1cccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1O ZINC000377916552 499747776 /nfs/dbraw/zinc/74/77/76/499747776.db2.gz JNHSIMRPGULLEZ-UHFFFAOYSA-N 2 0 369.509 3.325 20 10 FGCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000817413736 727249053 /nfs/dbraw/zinc/24/90/53/727249053.db2.gz DBHHTYLYPLVBRT-UHFFFAOYSA-N 2 0 351.922 3.038 20 10 FGCDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903298 727287500 /nfs/dbraw/zinc/28/75/00/727287500.db2.gz MJAVZWMYVUKSQS-KDOFPFPSSA-N 2 0 353.457 3.364 20 10 FGCDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824894436 729363797 /nfs/dbraw/zinc/36/37/97/729363797.db2.gz FDFJNOVFHYNORC-INIZCTEOSA-N 2 0 371.319 3.087 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(OC(F)F)CC3)cc2)CC1 ZINC000825144902 729372915 /nfs/dbraw/zinc/37/29/15/729372915.db2.gz SKMLXKAMCPWUKT-UHFFFAOYSA-N 2 0 353.457 3.078 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124903 730588466 /nfs/dbraw/zinc/58/84/66/730588466.db2.gz KNEXAODYJKMHIN-ZIAGYGMSSA-N 2 0 353.304 3.285 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000848524630 731175318 /nfs/dbraw/zinc/17/53/18/731175318.db2.gz JPPKHLXOUWUBOJ-LLVKDONJSA-N 2 0 357.292 3.156 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350147 731251531 /nfs/dbraw/zinc/25/15/31/731251531.db2.gz LEQAKNMGHDZGQQ-CQSZACIVSA-N 2 0 353.304 3.366 20 10 FGCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185414979 495569606 /nfs/dbraw/zinc/56/96/06/495569606.db2.gz ROOAUVGWWFBCIT-UKRRQHHQSA-N 2 0 371.319 3.042 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000185084945 496652776 /nfs/dbraw/zinc/65/27/76/496652776.db2.gz IYEGVHJTNXNTNN-SFHVURJKSA-N 2 0 353.510 3.299 20 10 FGCDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000194260808 497617057 /nfs/dbraw/zinc/61/70/57/497617057.db2.gz VBHJTFVHRPCDTQ-UTKZUKDTSA-N 2 0 355.526 3.468 20 10 FGCDRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897244 /nfs/dbraw/zinc/89/72/44/498897244.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 2 0 359.558 3.466 20 10 FGCDRP COc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221323 499163689 /nfs/dbraw/zinc/16/36/89/499163689.db2.gz IGRFZGCLXKCFQL-MRXNPFEDSA-N 2 0 359.470 3.394 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000808706503 725214403 /nfs/dbraw/zinc/21/44/03/725214403.db2.gz LNOFHOMVQLNUSU-KKXDTOCCSA-N 2 0 352.906 3.382 20 10 FGCDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817980759 727290483 /nfs/dbraw/zinc/29/04/83/727290483.db2.gz NGYHDHHFSWGXHA-HZPDHXFCSA-N 2 0 351.922 3.359 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126620 730588714 /nfs/dbraw/zinc/58/87/14/730588714.db2.gz LWGITGGNTOJKJV-ZIAGYGMSSA-N 2 0 353.304 3.366 20 10 FGCDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000844904083 730787317 /nfs/dbraw/zinc/78/73/17/730787317.db2.gz ANVCGVCBPUBIIU-UHFFFAOYSA-N 2 0 365.271 3.173 20 10 FGCDRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607099 742432663 /nfs/dbraw/zinc/43/26/63/742432663.db2.gz LCCDSJGZUZWAEK-CRICUBBOSA-N 2 0 367.474 3.251 20 10 FGCDRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932109 497251325 /nfs/dbraw/zinc/25/13/25/497251325.db2.gz JXKKMXXNVQEHRL-QFIPXVFZSA-N 2 0 365.521 3.135 20 10 FGCDRP CCn1ccnc1[C@@H](C)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000297710110 498543817 /nfs/dbraw/zinc/54/38/17/498543817.db2.gz MSIJAWJGSUJVTC-MRXNPFEDSA-N 2 0 359.493 3.035 20 10 FGCDRP C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732097 499052785 /nfs/dbraw/zinc/05/27/85/499052785.db2.gz WBZGVFMCSCSBIY-WDEREUQCSA-N 2 0 368.250 3.404 20 10 FGCDRP COc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000373036876 499448185 /nfs/dbraw/zinc/44/81/85/499448185.db2.gz NOJVJXSARZIMOD-AWEZNQCLSA-N 2 0 357.292 3.079 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000725849090 722424844 /nfs/dbraw/zinc/42/48/44/722424844.db2.gz GKNTZNASSWHQRX-UHFFFAOYSA-N 2 0 369.303 3.270 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000757673832 722978226 /nfs/dbraw/zinc/97/82/26/722978226.db2.gz LHWUWBAOGVIBHR-CYBMUJFWSA-N 2 0 359.308 3.164 20 10 FGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691762 725213634 /nfs/dbraw/zinc/21/36/34/725213634.db2.gz NPIUYUKDLZDVOW-HOCLYGCPSA-N 2 0 353.938 3.278 20 10 FGCDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000809755198 725265506 /nfs/dbraw/zinc/26/55/06/725265506.db2.gz HYLMSZRPTUZWEJ-AWEZNQCLSA-N 2 0 353.304 3.318 20 10 FGCDRP C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817903185 727287483 /nfs/dbraw/zinc/28/74/83/727287483.db2.gz JNPBRIPIHIIGSS-KDOFPFPSSA-N 2 0 353.457 3.377 20 10 FGCDRP CCC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CC[NH2+]CC1 ZINC000843044570 730573452 /nfs/dbraw/zinc/57/34/52/730573452.db2.gz JMEYNRXUZOSUCM-UHFFFAOYSA-N 2 0 357.292 3.127 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848558697 731181479 /nfs/dbraw/zinc/18/14/79/731181479.db2.gz RJIRMTCTLAHSDS-WZRBSPASSA-N 2 0 357.292 3.154 20 10 FGCDRP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093272 731664169 /nfs/dbraw/zinc/66/41/69/731664169.db2.gz HGRWBPVXBWRQLX-AWEZNQCLSA-N 2 0 353.304 3.366 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C(C)(C)C)s3)cc2)CC1 ZINC000883283639 737546981 /nfs/dbraw/zinc/54/69/81/737546981.db2.gz MPLRTEAVZPRNHP-UHFFFAOYSA-N 2 0 358.555 3.482 20 10 FGCDRP Oc1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000113337661 495298238 /nfs/dbraw/zinc/29/82/38/495298238.db2.gz KGPVBNKJDLCDPC-UHFFFAOYSA-N 2 0 360.885 3.292 20 10 FGCDRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278597353 497162565 /nfs/dbraw/zinc/16/25/65/497162565.db2.gz ZGGICHCIMRZSCE-MRXNPFEDSA-N 2 0 361.505 3.187 20 10 FGCDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000271217901 497294395 /nfs/dbraw/zinc/29/43/95/497294395.db2.gz NTLAMDKUFBOOES-UHFFFAOYSA-N 2 0 351.922 3.036 20 10 FGCDRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296310211 497993920 /nfs/dbraw/zinc/99/39/20/497993920.db2.gz FCXLJHPRHLAPLB-PMACEKPBSA-N 2 0 352.478 3.126 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106962 499289094 /nfs/dbraw/zinc/28/90/94/499289094.db2.gz CEOAONIMEKZFGL-AEFFLSMTSA-N 2 0 365.468 3.473 20 10 FGCDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000798956570 723979683 /nfs/dbraw/zinc/97/96/83/723979683.db2.gz DJVXBTLPNWTUGU-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000848527368 731175680 /nfs/dbraw/zinc/17/56/80/731175680.db2.gz AKIBVLWGSJPMQA-RYUDHWBXSA-N 2 0 357.292 3.156 20 10 FGCDRP CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1O ZINC000852754049 731630754 /nfs/dbraw/zinc/63/07/54/731630754.db2.gz NLYOIINLNKHYFB-OAHLLOKOSA-N 2 0 350.890 3.460 20 10 FGCDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137229 732184688 /nfs/dbraw/zinc/18/46/88/732184688.db2.gz KBHUYCIHMSQWDD-ROUUACIJSA-N 2 0 365.949 3.472 20 10 FGCDRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127367416 494934679 /nfs/dbraw/zinc/93/46/79/494934679.db2.gz WJTBLYVPHOUPPN-QZTJIDSGSA-N 2 0 362.537 3.103 20 10 FGCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000268397483 497741363 /nfs/dbraw/zinc/74/13/63/497741363.db2.gz AUUSCBPCIYWJGO-UHFFFAOYSA-N 2 0 354.494 3.384 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000285181676 498014472 /nfs/dbraw/zinc/01/44/72/498014472.db2.gz NIFFCKCHYYTWSC-FXAWDEMLSA-N 2 0 354.494 3.426 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1 ZINC000284115809 499051267 /nfs/dbraw/zinc/05/12/67/499051267.db2.gz NNEFGJQGYOSKGC-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1O ZINC000368402227 499292645 /nfs/dbraw/zinc/29/26/45/499292645.db2.gz JODBLJQYFGAUJG-RDTXWAMCSA-N 2 0 362.905 3.260 20 10 FGCDRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760652 499730132 /nfs/dbraw/zinc/73/01/32/499730132.db2.gz JXYORVYAJSTJOG-GGAORHGYSA-N 2 0 365.521 3.306 20 10 FGCDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775500119 723996469 /nfs/dbraw/zinc/99/64/69/723996469.db2.gz WKSAJTFNKZSRPM-CRAIPNDOSA-N 2 0 353.938 3.360 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000825341954 729379323 /nfs/dbraw/zinc/37/93/23/729379323.db2.gz XAOBNUIVOACHRJ-ROUUACIJSA-N 2 0 352.906 3.212 20 10 FGCDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912719 730788747 /nfs/dbraw/zinc/78/87/47/730788747.db2.gz WKAPIZUXVRRPPF-HLLBOEOZSA-N 2 0 369.303 3.016 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCSCC3)cc2F)CC1 ZINC000850433753 731356959 /nfs/dbraw/zinc/35/69/59/731356959.db2.gz PPWHIAFRPJPWRS-KRWDZBQOSA-N 2 0 351.535 3.343 20 10 FGCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925578715 759508316 /nfs/dbraw/zinc/50/83/16/759508316.db2.gz YFCKSMCWXULQQA-KRWDZBQOSA-N 2 0 351.441 3.131 20 10 FGCDRP COC1CCN(c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)CC1 ZINC000295147177 498925384 /nfs/dbraw/zinc/92/53/84/498925384.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 2 0 357.542 3.359 20 10 FGCDRP C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372854523 499184988 /nfs/dbraw/zinc/18/49/88/499184988.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 2 0 353.510 3.003 20 10 FGCDRP COc1cc(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000377628121 499712806 /nfs/dbraw/zinc/71/28/06/499712806.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 2 0 369.303 3.220 20 10 FGCDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000126213083 700745306 /nfs/dbraw/zinc/74/53/06/700745306.db2.gz YSYMVTAZEAOXGM-HNNXBMFYSA-N 2 0 351.922 3.169 20 10 FGCDRP CCN(CC)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000762479068 723246860 /nfs/dbraw/zinc/24/68/60/723246860.db2.gz BXTUGCZTVUYWKA-KRWDZBQOSA-N 2 0 351.510 3.262 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000800285836 724175560 /nfs/dbraw/zinc/17/55/60/724175560.db2.gz CYONPRZHUKOCED-FQEVSTJZSA-N 2 0 355.913 3.349 20 10 FGCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676028 725213029 /nfs/dbraw/zinc/21/30/29/725213029.db2.gz ARNIPHZHAWNKHT-INIZCTEOSA-N 2 0 353.938 3.422 20 10 FGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691759 725213361 /nfs/dbraw/zinc/21/33/61/725213361.db2.gz NPIUYUKDLZDVOW-GDBMZVCRSA-N 2 0 353.938 3.278 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767854 725266583 /nfs/dbraw/zinc/26/65/83/725266583.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 2 0 353.304 3.379 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903297 727287580 /nfs/dbraw/zinc/28/75/80/727287580.db2.gz MJAVZWMYVUKSQS-KBXCAEBGSA-N 2 0 353.457 3.364 20 10 FGCDRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933157 727288428 /nfs/dbraw/zinc/28/84/28/727288428.db2.gz YRNFZNRVOBWWJW-FXRXJOCMSA-N 2 0 365.949 3.418 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961350 727289801 /nfs/dbraw/zinc/28/98/01/727289801.db2.gz XOOSBMJBBSZJQI-QMTMVMCOSA-N 2 0 351.922 3.345 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000824650177 729353053 /nfs/dbraw/zinc/35/30/53/729353053.db2.gz MNCHLLKDWBLMEF-UHFFFAOYSA-N 2 0 352.906 3.288 20 10 FGCDRP CSC1(C[NH2+]Cc2ccc(Br)cc2O)CC[NH+](C)CC1 ZINC000825949234 729400579 /nfs/dbraw/zinc/40/05/79/729400579.db2.gz RFUCRKYKVISWCO-UHFFFAOYSA-N 2 0 359.333 3.072 20 10 FGCDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@@H]1C(C)C ZINC000922393622 758912837 /nfs/dbraw/zinc/91/28/37/758912837.db2.gz QREIZHVBNNQCLQ-YSHGAJCASA-N 2 0 352.906 3.005 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498353 495400803 /nfs/dbraw/zinc/40/08/03/495400803.db2.gz DJBZHMHNKQMAQK-NRFANRHFSA-N 2 0 367.541 3.140 20 10 FGCDRP CC[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000268779118 496782721 /nfs/dbraw/zinc/78/27/21/496782721.db2.gz PAOMDWMBCJJJKJ-UHFFFAOYSA-N 2 0 371.447 3.116 20 10 FGCDRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278597336 497163202 /nfs/dbraw/zinc/16/32/02/497163202.db2.gz ZGGICHCIMRZSCE-INIZCTEOSA-N 2 0 361.505 3.187 20 10 FGCDRP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000363756968 498976408 /nfs/dbraw/zinc/97/64/08/498976408.db2.gz JFBYJBNZFRGLQJ-IEBWSBKVSA-N 2 0 368.525 3.381 20 10 FGCDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623644 499236722 /nfs/dbraw/zinc/23/67/22/499236722.db2.gz AMEFTALLXZXJRY-CTNGQTDRSA-N 2 0 370.585 3.496 20 10 FGCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377246551 499673681 /nfs/dbraw/zinc/67/36/81/499673681.db2.gz UYBQYJJPJDBMSP-OFNKIYASSA-N 2 0 370.585 3.135 20 10 FGCDRP COc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246479292 713624767 /nfs/dbraw/zinc/62/47/67/713624767.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 2 0 369.303 3.079 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614152 723455291 /nfs/dbraw/zinc/45/52/91/723455291.db2.gz OIGCZXKZDITAKA-MSOLQXFVSA-N 2 0 368.352 3.454 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000808693126 725213628 /nfs/dbraw/zinc/21/36/28/725213628.db2.gz WUCDGQAGRSULBX-OAHLLOKOSA-N 2 0 353.938 3.278 20 10 FGCDRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933158 727288375 /nfs/dbraw/zinc/28/83/75/727288375.db2.gz YRNFZNRVOBWWJW-IIHSZXCVSA-N 2 0 365.949 3.418 20 10 FGCDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961348 727289658 /nfs/dbraw/zinc/28/96/58/727289658.db2.gz XOOSBMJBBSZJQI-DOXZYTNZSA-N 2 0 351.922 3.345 20 10 FGCDRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817973660 727290172 /nfs/dbraw/zinc/29/01/72/727290172.db2.gz FZQNBCBZDCNZQB-OAHLLOKOSA-N 2 0 371.319 3.212 20 10 FGCDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825928543 729399849 /nfs/dbraw/zinc/39/98/49/729399849.db2.gz YMTIMAGTLNELGS-AWEZNQCLSA-N 2 0 353.304 3.318 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000826814528 729416161 /nfs/dbraw/zinc/41/61/61/729416161.db2.gz DMPPOCNVTJTKLB-UHFFFAOYSA-N 2 0 352.906 3.335 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1O ZINC000826940892 729419641 /nfs/dbraw/zinc/41/96/41/729419641.db2.gz HCCBJMMWSCSEBO-LJQANCHMSA-N 2 0 360.885 3.210 20 10 FGCDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000150992704 495705901 /nfs/dbraw/zinc/70/59/01/495705901.db2.gz CUCZWDMJZIANBF-LJQANCHMSA-N 2 0 358.574 3.354 20 10 FGCDRP COc1cc(O)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935016 /nfs/dbraw/zinc/93/50/16/495935016.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 2 0 370.493 3.363 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000186519987 496028867 /nfs/dbraw/zinc/02/88/67/496028867.db2.gz BWAUEVFOWSDREB-KSSFIOAISA-N 2 0 360.885 3.463 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092173 497618782 /nfs/dbraw/zinc/61/87/82/497618782.db2.gz CMTJKRFQOAOKOH-BQFCYCMXSA-N 2 0 365.468 3.473 20 10 FGCDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000368325623 499285890 /nfs/dbraw/zinc/28/58/90/499285890.db2.gz BIFFQVDRURNUPX-VQIMIIECSA-N 2 0 357.542 3.090 20 10 FGCDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000757673323 722978182 /nfs/dbraw/zinc/97/81/82/722978182.db2.gz CHGNZJAWRGVNRF-CYBMUJFWSA-N 2 0 359.308 3.164 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Cl ZINC000824905820 729364443 /nfs/dbraw/zinc/36/44/43/729364443.db2.gz FCGNKSHYVHFNHI-UHFFFAOYSA-N 2 0 365.949 3.344 20 10 FGCDRP NC1(C[NH2+]Cc2cc(Cl)ccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000841102884 730211759 /nfs/dbraw/zinc/21/17/59/730211759.db2.gz AXKGCGPLTOYPQN-UHFFFAOYSA-N 2 0 359.901 3.129 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1O ZINC000841745761 730270101 /nfs/dbraw/zinc/27/01/01/730270101.db2.gz SQWMUZSRQYRFNN-AWEZNQCLSA-N 2 0 360.889 3.043 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1O ZINC000844904363 730787269 /nfs/dbraw/zinc/78/72/69/730787269.db2.gz JGSRWNYIXLNWSK-UHFFFAOYSA-N 2 0 369.234 3.051 20 10 FGCDRP Oc1cccc(Br)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000862221375 732788215 /nfs/dbraw/zinc/78/82/15/732788215.db2.gz ZQMFZWIHMXVZPH-UHFFFAOYSA-N 2 0 353.304 3.463 20 10 FGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587758 496059137 /nfs/dbraw/zinc/05/91/37/496059137.db2.gz QSDSJWDAMNNVKP-WOJBJXKFSA-N 2 0 358.574 3.354 20 10 FGCDRP COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027156 498363298 /nfs/dbraw/zinc/36/32/98/498363298.db2.gz WIKIHQYTUHGQSD-OAHLLOKOSA-N 2 0 371.481 3.322 20 10 FGCDRP C[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052720 499260065 /nfs/dbraw/zinc/26/00/65/499260065.db2.gz YBQZQQUNBATFBB-IBGZPJMESA-N 2 0 353.510 3.146 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000368325622 499285652 /nfs/dbraw/zinc/28/56/52/499285652.db2.gz BIFFQVDRURNUPX-QFBILLFUSA-N 2 0 357.542 3.090 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000808675084 725213035 /nfs/dbraw/zinc/21/30/35/725213035.db2.gz VXWHSDRTWMTYLK-QAPCUYQASA-N 2 0 353.938 3.277 20 10 FGCDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903134 727287350 /nfs/dbraw/zinc/28/73/50/727287350.db2.gz ILWOGJZPSNUJIW-KBXCAEBGSA-N 2 0 353.457 3.235 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903299 727287584 /nfs/dbraw/zinc/28/75/84/727287584.db2.gz MJAVZWMYVUKSQS-KSSFIOAISA-N 2 0 353.457 3.364 20 10 FGCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155024866 495807145 /nfs/dbraw/zinc/80/71/45/495807145.db2.gz LDSVSWWZZPGXGD-PMACEKPBSA-N 2 0 358.574 3.354 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C)cc1O ZINC000279957330 497601687 /nfs/dbraw/zinc/60/16/87/497601687.db2.gz CCYFCAFQSDFVMA-LJQANCHMSA-N 2 0 354.498 3.088 20 10 FGCDRP CC[NH+]1CCN(c2ccc(CNc3nc(C)nc(C)c3C)cc2F)CC1 ZINC000301697075 498228394 /nfs/dbraw/zinc/22/83/94/498228394.db2.gz QGBRWJVQAJWHGB-UHFFFAOYSA-N 2 0 357.477 3.295 20 10 FGCDRP Cc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000742391302 722556731 /nfs/dbraw/zinc/55/67/31/722556731.db2.gz GZPDZGWDIXFZJU-UHFFFAOYSA-N 2 0 359.901 3.396 20 10 FGCDRP CC[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817903488 727287713 /nfs/dbraw/zinc/28/77/13/727287713.db2.gz PTIDVFZQFZIHOG-MSOLQXFVSA-N 2 0 353.457 3.377 20 10 FGCDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1O ZINC000872251493 735610072 /nfs/dbraw/zinc/61/00/72/735610072.db2.gz KKUWCFGEHRVTBI-CYBMUJFWSA-N 2 0 357.292 3.031 20 10 FGCDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@H]1C(C)C ZINC000922393221 758912555 /nfs/dbraw/zinc/91/25/55/758912555.db2.gz QREIZHVBNNQCLQ-OWYHZJEWSA-N 2 0 352.906 3.005 20 10 FGCDRP C[NH+](C)CC[C@H](NCc1cc(Br)ccc1O)c1cccnc1 ZINC000922629972 758965238 /nfs/dbraw/zinc/96/52/38/758965238.db2.gz BHEUWVGIKJMQAF-INIZCTEOSA-N 2 0 364.287 3.332 20 10 FGCDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000925775854 759534349 /nfs/dbraw/zinc/53/43/49/759534349.db2.gz HTJLFNHHNMJQGC-WDEREUQCSA-N 2 0 363.246 3.359 20 10 FGCDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000925798186 759543877 /nfs/dbraw/zinc/54/38/77/759543877.db2.gz QIYKRRSRZFTBBB-BZUAXINKSA-N 2 0 351.922 3.073 20 10 FGCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293779610 498486866 /nfs/dbraw/zinc/48/68/66/498486866.db2.gz QBKWYCZZYGFGTB-SIKLNZKXSA-N 2 0 367.537 3.292 20 10 FGCDRP CCN(CC)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000769383944 723683812 /nfs/dbraw/zinc/68/38/12/723683812.db2.gz OVJZTBBGZGAPKB-UHFFFAOYSA-N 2 0 351.510 3.215 20 10 FGCDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775500120 723996367 /nfs/dbraw/zinc/99/63/67/723996367.db2.gz WKSAJTFNKZSRPM-MAUKXSAKSA-N 2 0 353.938 3.360 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000808706505 725214333 /nfs/dbraw/zinc/21/43/33/725214333.db2.gz LNOFHOMVQLNUSU-VHSSKADRSA-N 2 0 352.906 3.382 20 10 FGCDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900357 727287498 /nfs/dbraw/zinc/28/74/98/727287498.db2.gz OIFUPKHNAGLYLS-IIDMSEBBSA-N 2 0 353.457 3.235 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1O ZINC000817982600 727290237 /nfs/dbraw/zinc/29/02/37/727290237.db2.gz GSOQVGDEYQEANY-ODIFPOPNSA-N 2 0 351.922 3.221 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000825341953 729379370 /nfs/dbraw/zinc/37/93/70/729379370.db2.gz XAOBNUIVOACHRJ-QZTJIDSGSA-N 2 0 352.906 3.212 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841028567 730204797 /nfs/dbraw/zinc/20/47/97/730204797.db2.gz DJRWYSKEDJDKLG-LLVKDONJSA-N 2 0 365.271 3.473 20 10 FGCDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521960 731174798 /nfs/dbraw/zinc/17/47/98/731174798.db2.gz SHDHSPSULRFIQS-NWDGAFQWSA-N 2 0 357.292 3.156 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2F)CC1 ZINC000850433754 731356884 /nfs/dbraw/zinc/35/68/84/731356884.db2.gz PPWHIAFRPJPWRS-QGZVFWFLSA-N 2 0 351.535 3.343 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(F)ccc1O ZINC000185372415 495553324 /nfs/dbraw/zinc/55/33/24/495553324.db2.gz ZCQODVJJHDXRBT-HNNXBMFYSA-N 2 0 358.457 3.339 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000186519896 496029476 /nfs/dbraw/zinc/02/94/76/496029476.db2.gz ZWSFAFMCXBRMCO-HNAYVOBHSA-N 2 0 358.457 3.339 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192921209 497247792 /nfs/dbraw/zinc/24/77/92/497247792.db2.gz WYSRRPHPKZZPFE-QGZVFWFLSA-N 2 0 356.466 3.021 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC000284926199 497944305 /nfs/dbraw/zinc/94/43/05/497944305.db2.gz DIPJYECLFSVSHC-KRWDZBQOSA-N 2 0 369.509 3.151 20 10 FGCDRP COc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1O ZINC000283862499 499001791 /nfs/dbraw/zinc/00/17/91/499001791.db2.gz GHMIWLCIHXDMNW-UHFFFAOYSA-N 2 0 356.466 3.164 20 10 FGCDRP COc1cc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221322 499163645 /nfs/dbraw/zinc/16/36/45/499163645.db2.gz IGRFZGCLXKCFQL-INIZCTEOSA-N 2 0 359.470 3.394 20 10 FGCDRP COc1cc(Br)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1O ZINC000092380973 700435391 /nfs/dbraw/zinc/43/53/91/700435391.db2.gz KWVBRNYEKAJILL-UHFFFAOYSA-N 2 0 371.319 3.327 20 10 FGCDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638773 700452498 /nfs/dbraw/zinc/45/24/98/700452498.db2.gz IXYSJNNVWXBTBI-IUODEOHRSA-N 2 0 371.319 3.325 20 10 FGCDRP CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000765852545 723544188 /nfs/dbraw/zinc/54/41/88/723544188.db2.gz MJWFZZLXHHVPJJ-SFHVURJKSA-N 2 0 351.510 3.262 20 10 FGCDRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216930 725297329 /nfs/dbraw/zinc/29/73/29/725297329.db2.gz STPVGMCCNYEDKE-BBRMVZONSA-N 2 0 359.436 3.088 20 10 FGCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)CC2)CC1 ZINC000817413987 727248926 /nfs/dbraw/zinc/24/89/26/727248926.db2.gz OXZHLPDTKKSHBC-UHFFFAOYSA-N 2 0 365.949 3.346 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817986843 727290665 /nfs/dbraw/zinc/29/06/65/727290665.db2.gz UPROQGVKFMMIGG-MWDXBVQZSA-N 2 0 363.933 3.215 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1O ZINC000841743912 730269900 /nfs/dbraw/zinc/26/99/00/730269900.db2.gz DFPDXPVFFMFMKT-CQSZACIVSA-N 2 0 360.889 3.043 20 10 FGCDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1O ZINC000841743909 730269910 /nfs/dbraw/zinc/26/99/10/730269910.db2.gz DFPDXPVFFMFMKT-AWEZNQCLSA-N 2 0 360.889 3.043 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506874 731366528 /nfs/dbraw/zinc/36/65/28/731366528.db2.gz CJRHDBIKYFNIDE-RDTXWAMCSA-N 2 0 360.885 3.463 20 10 FGCDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000858141820 732185416 /nfs/dbraw/zinc/18/54/16/732185416.db2.gz RHODWODXMQFTCI-GJZGRUSLSA-N 2 0 355.473 3.010 20 10 FGCDRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925786598 759538876 /nfs/dbraw/zinc/53/88/76/759538876.db2.gz XBPUEGFHZHULAI-GXFFZTMASA-N 2 0 363.246 3.440 20 10 FGCDRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925786596 759539410 /nfs/dbraw/zinc/53/94/10/759539410.db2.gz XBPUEGFHZHULAI-GWCFXTLKSA-N 2 0 363.246 3.440 20 10 FGCDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000127587193 494966815 /nfs/dbraw/zinc/96/68/15/494966815.db2.gz KYHRXEISKRBGFQ-VQTJNVASSA-N 2 0 358.574 3.354 20 10 FGCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000185372200 495553423 /nfs/dbraw/zinc/55/34/23/495553423.db2.gz WUEXVQLYZFPTTH-INIZCTEOSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623646 499236851 /nfs/dbraw/zinc/23/68/51/499236851.db2.gz AMEFTALLXZXJRY-PZJWPPBQSA-N 2 0 370.585 3.496 20 10 FGCDRP COc1cc(O)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000367933012 499247153 /nfs/dbraw/zinc/24/71/53/499247153.db2.gz VSDCDSWZTIUKGV-AEFFLSMTSA-N 2 0 370.493 3.410 20 10 FGCDRP Cc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000368486829 499301029 /nfs/dbraw/zinc/30/10/29/499301029.db2.gz DQBDPTAQTCGIGN-UHFFFAOYSA-N 2 0 350.260 3.286 20 10 FGCDRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@H](C)C2)s1 ZINC000377777496 499731881 /nfs/dbraw/zinc/73/18/81/499731881.db2.gz BFXZAXQFUAEFNU-KUHUBIRLSA-N 2 0 357.523 3.387 20 10 FGCDRP CCOc1cccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1O ZINC000377926067 499748738 /nfs/dbraw/zinc/74/87/38/499748738.db2.gz WBIFHPPHMZONRY-UHFFFAOYSA-N 2 0 355.482 3.282 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000808696504 725213774 /nfs/dbraw/zinc/21/37/74/725213774.db2.gz VMFMYFNGZFFOCL-GOEBONIOSA-N 2 0 351.922 3.173 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901844 727287468 /nfs/dbraw/zinc/28/74/68/727287468.db2.gz ZBBRYIUNAXOKAA-HDMKZQKVSA-N 2 0 353.457 3.364 20 10 FGCDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933160 727288352 /nfs/dbraw/zinc/28/83/52/727288352.db2.gz YRNFZNRVOBWWJW-WXSAJPJJSA-N 2 0 365.949 3.418 20 10 FGCDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000844927364 730790740 /nfs/dbraw/zinc/79/07/40/730790740.db2.gz ZINJCJBGRHIYED-HNNXBMFYSA-N 2 0 351.922 3.217 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CSCCF)cc2F)CC1 ZINC000850434606 731356898 /nfs/dbraw/zinc/35/68/98/731356898.db2.gz ZASPZGQXXQZIFR-OAHLLOKOSA-N 2 0 357.514 3.148 20 10 FGCDRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000883289300 737547835 /nfs/dbraw/zinc/54/78/35/737547835.db2.gz KDSHXFLBPNYFNF-SFHVURJKSA-N 2 0 356.539 3.371 20 10 FGCDRP COc1cc(O)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000160525760 495983640 /nfs/dbraw/zinc/98/36/40/495983640.db2.gz CVNVXHBDHXIVNX-UHFFFAOYSA-N 2 0 371.481 3.153 20 10 FGCDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000162543488 496371041 /nfs/dbraw/zinc/37/10/41/496371041.db2.gz YEPVSIWCMARBLK-HXUWFJFHSA-N 2 0 358.574 3.355 20 10 FGCDRP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000185084743 496652858 /nfs/dbraw/zinc/65/28/58/496652858.db2.gz MTSIKNZSQBSSSE-GOSISDBHSA-N 2 0 353.510 3.299 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729825 496692814 /nfs/dbraw/zinc/69/28/14/496692814.db2.gz CMTJKRFQOAOKOH-JFIYKMOQSA-N 2 0 365.468 3.473 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182265020 496723591 /nfs/dbraw/zinc/72/35/91/496723591.db2.gz DOQYTOJFLXVDSR-VGSWGCGISA-N 2 0 353.510 3.170 20 10 FGCDRP COc1ccc(O)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000285123457 497999545 /nfs/dbraw/zinc/99/95/45/497999545.db2.gz NXIAYBMKFHVHRJ-UHFFFAOYSA-N 2 0 356.466 3.164 20 10 FGCDRP C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000293887369 498523260 /nfs/dbraw/zinc/52/32/60/498523260.db2.gz VTQDSUBLZDRMSD-DENIHFKCSA-N 2 0 367.537 3.292 20 10 FGCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371470999 499331534 /nfs/dbraw/zinc/33/15/34/499331534.db2.gz QCJNTCUAOUQWOW-FSSWDIPSSA-N 2 0 357.542 3.360 20 10 FGCDRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760650 499730248 /nfs/dbraw/zinc/73/02/48/499730248.db2.gz JXYORVYAJSTJOG-FYYLOGMGSA-N 2 0 365.521 3.306 20 10 FGCDRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216933 725297602 /nfs/dbraw/zinc/29/76/02/725297602.db2.gz STPVGMCCNYEDKE-XJKSGUPXSA-N 2 0 359.436 3.088 20 10 FGCDRP C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817903186 727287389 /nfs/dbraw/zinc/28/73/89/727287389.db2.gz JNPBRIPIHIIGSS-KSSFIOAISA-N 2 0 353.457 3.377 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000848518239 731174310 /nfs/dbraw/zinc/17/43/10/731174310.db2.gz JJFSZBHPWNGKMK-NEPJUHHUSA-N 2 0 369.303 3.298 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000848519350 731174313 /nfs/dbraw/zinc/17/43/13/731174313.db2.gz RKMXCCCYIPXADO-IACUBPJLSA-N 2 0 369.303 3.441 20 10 FGCDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858140847 732184999 /nfs/dbraw/zinc/18/49/99/732184999.db2.gz IOYCPFOFFDYVGM-KBPBESRZSA-N 2 0 371.319 3.134 20 10 FGCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159141170 495668468 /nfs/dbraw/zinc/66/84/68/495668468.db2.gz LZTAZQCSQHMCNU-SFHVURJKSA-N 2 0 367.541 3.140 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166751 495674397 /nfs/dbraw/zinc/67/43/97/495674397.db2.gz JNDBWQLDUZNRSA-NRFANRHFSA-N 2 0 367.541 3.140 20 10 FGCDRP C[NH+]1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294847705 498825280 /nfs/dbraw/zinc/82/52/80/498825280.db2.gz SFMRYAXKYWPFAC-FQEVSTJZSA-N 2 0 354.494 3.112 20 10 FGCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841754429 730270960 /nfs/dbraw/zinc/27/09/60/730270960.db2.gz RMXFVXYJRIIPSR-KBXCAEBGSA-N 2 0 360.885 3.463 20 10 FGCDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911114 730788460 /nfs/dbraw/zinc/78/84/60/730788460.db2.gz KPJGNVYGDJGAHS-BMFZPTHFSA-N 2 0 369.303 3.016 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]CCC[N@H+](C)CC(C)C)c1O ZINC000845997344 730916992 /nfs/dbraw/zinc/91/69/92/730916992.db2.gz WYXRHUYBKCJRPP-UHFFFAOYSA-N 2 0 359.308 3.231 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1O ZINC000848513531 731173854 /nfs/dbraw/zinc/17/38/54/731173854.db2.gz GTRGWMXSQGDNRT-LLVKDONJSA-N 2 0 359.308 3.402 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000848519354 731174298 /nfs/dbraw/zinc/17/42/98/731174298.db2.gz RKMXCCCYIPXADO-UBHSHLNASA-N 2 0 369.303 3.441 20 10 FGCDRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cc(Cl)ccc1O ZINC000854231309 731806509 /nfs/dbraw/zinc/80/65/09/731806509.db2.gz JHCUWKYPWQVWOR-KRWDZBQOSA-N 2 0 367.921 3.077 20 10 FGCDRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578111 759508214 /nfs/dbraw/zinc/50/82/14/759508214.db2.gz SHLVIADTHONWAC-DLBZAZTESA-N 2 0 351.441 3.116 20 10 FGCDRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296310224 497993503 /nfs/dbraw/zinc/99/35/03/497993503.db2.gz FCXLJHPRHLAPLB-WOJBJXKFSA-N 2 0 352.478 3.126 20 10 FGCDRP COC1CCN(c2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000295522117 499041877 /nfs/dbraw/zinc/04/18/77/499041877.db2.gz MNARRLBEHIPUMH-UHFFFAOYSA-N 2 0 359.558 3.466 20 10 FGCDRP COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000367933015 499247323 /nfs/dbraw/zinc/24/73/23/499247323.db2.gz VSDCDSWZTIUKGV-WMZOPIPTSA-N 2 0 370.493 3.410 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000826943132 729419541 /nfs/dbraw/zinc/41/95/41/729419541.db2.gz VCBRTCNLOCLGCM-SFHVURJKSA-N 2 0 360.885 3.210 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000840886535 730188173 /nfs/dbraw/zinc/18/81/73/730188173.db2.gz FXQKUAGTHYDJDB-UHFFFAOYSA-N 2 0 351.922 3.002 20 10 FGCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185414174 495568391 /nfs/dbraw/zinc/56/83/91/495568391.db2.gz OAGJBPUILUOJNE-UKRRQHHQSA-N 2 0 371.319 3.042 20 10 FGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177826080 496212515 /nfs/dbraw/zinc/21/25/15/496212515.db2.gz KUJQZIHKUKRGKK-GOSISDBHSA-N 2 0 367.541 3.140 20 10 FGCDRP Cc1cc(N2CCC([NH2+]Cc3c([O-])ccc(Cl)c3F)CC2)nc(C)n1 ZINC000191292206 497770952 /nfs/dbraw/zinc/77/09/52/497770952.db2.gz CJFHNSNSLZDIFW-UHFFFAOYSA-N 2 0 364.852 3.350 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230312 498332166 /nfs/dbraw/zinc/33/21/66/498332166.db2.gz STXSGDXCRZXKIR-QUCCMNQESA-N 2 0 358.457 3.339 20 10 FGCDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901846 727287556 /nfs/dbraw/zinc/28/75/56/727287556.db2.gz ZBBRYIUNAXOKAA-RLFYNMQTSA-N 2 0 353.457 3.364 20 10 FGCDRP COc1cc(Br)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1O ZINC000843046076 730573747 /nfs/dbraw/zinc/57/37/47/730573747.db2.gz MTQCXPIELKOTPR-HNNXBMFYSA-N 2 0 369.303 3.127 20 10 FGCDRP CN(C)c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(C(F)(F)F)c1 ZINC000843056701 730574538 /nfs/dbraw/zinc/57/45/38/730574538.db2.gz WVJSPSGNIOPNKC-UHFFFAOYSA-N 2 0 359.436 3.101 20 10 FGCDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912717 730788709 /nfs/dbraw/zinc/78/87/09/730788709.db2.gz WKAPIZUXVRRPPF-BFYDXBDKSA-N 2 0 369.303 3.016 20 10 FGCDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521966 731174868 /nfs/dbraw/zinc/17/48/68/731174868.db2.gz SHDHSPSULRFIQS-VXGBXAGGSA-N 2 0 357.292 3.156 20 10 FGCDRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137227 732184625 /nfs/dbraw/zinc/18/46/25/732184625.db2.gz KBHUYCIHMSQWDD-MSOLQXFVSA-N 2 0 365.949 3.472 20 10 FGCDRP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1O ZINC000872251494 735610079 /nfs/dbraw/zinc/61/00/79/735610079.db2.gz KKUWCFGEHRVTBI-ZDUSSCGKSA-N 2 0 357.292 3.031 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000873271579 735744996 /nfs/dbraw/zinc/74/49/96/735744996.db2.gz IVHVZPXBXTZIBT-LSDHHAIUSA-N 2 0 351.922 3.215 20 10 FGCDRP COc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(O)c1OC ZINC000895861805 742463688 /nfs/dbraw/zinc/46/36/88/742463688.db2.gz SUXKYPJFUOGBHL-UHFFFAOYSA-N 2 0 350.503 3.209 20 10 FGCDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000162490925 496360983 /nfs/dbraw/zinc/36/09/83/496360983.db2.gz SNELSLKOVIMOCW-SFHVURJKSA-N 2 0 362.537 3.104 20 10 FGCDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000162543371 496370516 /nfs/dbraw/zinc/37/05/16/496370516.db2.gz YEPVSIWCMARBLK-FQEVSTJZSA-N 2 0 358.574 3.355 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1C ZINC000273424971 496803038 /nfs/dbraw/zinc/80/30/38/496803038.db2.gz TUWSVTMTSNLQTE-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246092184 497618018 /nfs/dbraw/zinc/61/80/18/497618018.db2.gz CMTJKRFQOAOKOH-XYJFISCASA-N 2 0 365.468 3.473 20 10 FGCDRP COc1cc(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000368948522 499349595 /nfs/dbraw/zinc/34/95/95/499349595.db2.gz CSGGRVZFWLKZOG-UHFFFAOYSA-N 2 0 369.303 3.224 20 10 FGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H](C)C1 ZINC000185461216 712694748 /nfs/dbraw/zinc/69/47/48/712694748.db2.gz JUDBJQKFGAVJOQ-GJYPPUQNSA-N 2 0 350.503 3.188 20 10 FGCDRP COCC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC[NH2+]CC1 ZINC000817974461 727290068 /nfs/dbraw/zinc/29/00/68/727290068.db2.gz MJYXYMFOHDPODC-CYBMUJFWSA-N 2 0 371.319 3.130 20 10 FGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145882 730932012 /nfs/dbraw/zinc/93/20/12/730932012.db2.gz PLRBRXBNBISLHM-NUJGCVRESA-N 2 0 350.503 3.188 20 10 FGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145872 730932033 /nfs/dbraw/zinc/93/20/33/730932033.db2.gz PLRBRXBNBISLHM-BQFCYCMXSA-N 2 0 350.503 3.188 20 10 FGCDRP Oc1ccccc1C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000873210113 735738362 /nfs/dbraw/zinc/73/83/62/735738362.db2.gz VXKOQBOUGURKCR-KRWDZBQOSA-N 2 0 358.507 3.281 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC[NH2+]CC1 ZINC000873267741 735744361 /nfs/dbraw/zinc/74/43/61/735744361.db2.gz IVHVZPXBXTZIBT-CABCVRRESA-N 2 0 351.922 3.215 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)ccc1O ZINC000185651786 495663307 /nfs/dbraw/zinc/66/33/07/495663307.db2.gz IVLQIWHRHIPFIZ-OAHLLOKOSA-N 2 0 358.457 3.339 20 10 FGCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000185651555 495663446 /nfs/dbraw/zinc/66/34/46/495663446.db2.gz IYPDEBUENAXFGJ-INIZCTEOSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000155025075 495807977 /nfs/dbraw/zinc/80/79/77/495807977.db2.gz LDSVSWWZZPGXGD-VQTJNVASSA-N 2 0 358.574 3.354 20 10 FGCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027728 498884925 /nfs/dbraw/zinc/88/49/25/498884925.db2.gz MRERRWGJEISJNK-FQEVSTJZSA-N 2 0 357.542 3.220 20 10 FGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691763 725213587 /nfs/dbraw/zinc/21/35/87/725213587.db2.gz NPIUYUKDLZDVOW-ZBFHGGJFSA-N 2 0 353.938 3.278 20 10 FGCDRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809749831 725264781 /nfs/dbraw/zinc/26/47/81/725264781.db2.gz KWFHWKACHJZFQG-UHFFFAOYSA-N 2 0 371.319 3.471 20 10 FGCDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903136 727287610 /nfs/dbraw/zinc/28/76/10/727287610.db2.gz ILWOGJZPSNUJIW-KSSFIOAISA-N 2 0 353.457 3.235 20 10 FGCDRP Oc1cc(Br)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827843666 729435840 /nfs/dbraw/zinc/43/58/40/729435840.db2.gz GGVVATCGILKYAR-UHFFFAOYSA-N 2 0 353.304 3.366 20 10 FGCDRP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840936871 730193881 /nfs/dbraw/zinc/19/38/81/730193881.db2.gz NISZIRFSQZQVOW-QGZVFWFLSA-N 2 0 360.885 3.210 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1O ZINC000843125923 730589020 /nfs/dbraw/zinc/58/90/20/730589020.db2.gz COFQSFYYXSUJKS-CQSZACIVSA-N 2 0 353.304 3.285 20 10 FGCDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000848557197 731181468 /nfs/dbraw/zinc/18/14/68/731181468.db2.gz GKWDCMFXFDNWND-YQQAZPJKSA-N 2 0 351.922 3.167 20 10 FGCDRP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350145 731251387 /nfs/dbraw/zinc/25/13/87/731251387.db2.gz LEQAKNMGHDZGQQ-AWEZNQCLSA-N 2 0 353.304 3.366 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3CC(F)(F)C3)cc2F)CC1 ZINC000862277583 732803246 /nfs/dbraw/zinc/80/32/46/732803246.db2.gz GKXQKUUOEPFAFV-AWEZNQCLSA-N 2 0 355.448 3.491 20 10 FGCDRP Oc1ccccc1C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCO1 ZINC000873210119 735738367 /nfs/dbraw/zinc/73/83/67/735738367.db2.gz VXKOQBOUGURKCR-QGZVFWFLSA-N 2 0 358.507 3.281 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355809 496781766 /nfs/dbraw/zinc/78/17/66/496781766.db2.gz CQOLYMUDEMKHMK-IWMITWMQSA-N 2 0 358.526 3.299 20 10 FGCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027733 498884648 /nfs/dbraw/zinc/88/46/48/498884648.db2.gz MRERRWGJEISJNK-HXUWFJFHSA-N 2 0 357.542 3.220 20 10 FGCDRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@H](C)C2)s1 ZINC000377777494 499731982 /nfs/dbraw/zinc/73/19/82/499731982.db2.gz BFXZAXQFUAEFNU-AUUYWEPGSA-N 2 0 357.523 3.387 20 10 FGCDRP Oc1cccc(Cl)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780781783 724500591 /nfs/dbraw/zinc/50/05/91/724500591.db2.gz MAKBEYRQSUOBLN-UHFFFAOYSA-N 2 0 352.906 3.370 20 10 FGCDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1O ZINC000775503678 723996849 /nfs/dbraw/zinc/99/68/49/723996849.db2.gz MEUPFWKNRAQZCI-CRAIPNDOSA-N 2 0 351.922 3.255 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000808693125 725213590 /nfs/dbraw/zinc/21/35/90/725213590.db2.gz WUCDGQAGRSULBX-HNNXBMFYSA-N 2 0 353.938 3.278 20 10 FGCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000808706504 725214429 /nfs/dbraw/zinc/21/44/29/725214429.db2.gz LNOFHOMVQLNUSU-MORSLUCNSA-N 2 0 352.906 3.382 20 10 FGCDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000817932281 727288443 /nfs/dbraw/zinc/28/84/43/727288443.db2.gz URCVNJPMHAWCCU-RDJZCZTQSA-N 2 0 353.938 3.420 20 10 FGCDRP Cc1cc(O)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000826816569 729416178 /nfs/dbraw/zinc/41/61/78/729416178.db2.gz VQPRLGZKMUZQJZ-UHFFFAOYSA-N 2 0 352.906 3.335 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Br)ccc1O ZINC000850500782 731365421 /nfs/dbraw/zinc/36/54/21/731365421.db2.gz JYDGDPZQQOAXJJ-UONOGXRCSA-N 2 0 372.351 3.077 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(F)ccc1O ZINC000185372433 495553386 /nfs/dbraw/zinc/55/33/86/495553386.db2.gz ZCQODVJJHDXRBT-OAHLLOKOSA-N 2 0 358.457 3.339 20 10 FGCDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154313755 495577722 /nfs/dbraw/zinc/57/77/22/495577722.db2.gz IAVRHKDVXDZNTA-HXUWFJFHSA-N 2 0 358.574 3.355 20 10 FGCDRP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000185084758 496653413 /nfs/dbraw/zinc/65/34/13/496653413.db2.gz MTSIKNZSQBSSSE-SFHVURJKSA-N 2 0 353.510 3.299 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1C ZINC000273424970 496803236 /nfs/dbraw/zinc/80/32/36/496803236.db2.gz TUWSVTMTSNLQTE-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932092 497251077 /nfs/dbraw/zinc/25/10/77/497251077.db2.gz JXKKMXXNVQEHRL-JOCHJYFZSA-N 2 0 365.521 3.135 20 10 FGCDRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)CC1 ZINC000372923526 499195068 /nfs/dbraw/zinc/19/50/68/499195068.db2.gz DGYDIXDWMGVDCU-UHFFFAOYSA-N 2 0 365.949 3.346 20 10 FGCDRP C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377246552 499673619 /nfs/dbraw/zinc/67/36/19/499673619.db2.gz UYBQYJJPJDBMSP-REWPJTCUSA-N 2 0 370.585 3.135 20 10 FGCDRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760653 499730086 /nfs/dbraw/zinc/73/00/86/499730086.db2.gz JXYORVYAJSTJOG-GMAHTHKFSA-N 2 0 365.521 3.306 20 10 FGCDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733286 705010180 /nfs/dbraw/zinc/01/01/80/705010180.db2.gz PHOPYCZWIQFQKO-KRWDZBQOSA-N 2 0 351.510 3.435 20 10 FGCDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1O ZINC000775503680 723996720 /nfs/dbraw/zinc/99/67/20/723996720.db2.gz MEUPFWKNRAQZCI-QAPCUYQASA-N 2 0 351.922 3.255 20 10 FGCDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726607 724088467 /nfs/dbraw/zinc/08/84/67/724088467.db2.gz QOOAVPMMVPXZKO-LBPRGKRZSA-N 2 0 360.329 3.376 20 10 FGCDRP CCOCc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC ZINC000810170462 725294345 /nfs/dbraw/zinc/29/43/45/725294345.db2.gz NKZWRRIKLNCYOI-UHFFFAOYSA-N 2 0 352.544 3.149 20 10 FGCDRP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000825341952 729379422 /nfs/dbraw/zinc/37/94/22/729379422.db2.gz XAOBNUIVOACHRJ-MSOLQXFVSA-N 2 0 352.906 3.212 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000825509583 729386095 /nfs/dbraw/zinc/38/60/95/729386095.db2.gz NDJDLGFZNRJGKM-UHFFFAOYSA-N 2 0 365.949 3.204 20 10 FGCDRP Cc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000840904813 730189521 /nfs/dbraw/zinc/18/95/21/730189521.db2.gz OMBZEYWYTRFXSG-UHFFFAOYSA-N 2 0 365.949 3.394 20 10 FGCDRP Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1O ZINC000844905409 730787635 /nfs/dbraw/zinc/78/76/35/730787635.db2.gz ZAWOSGSKVINRJH-UHFFFAOYSA-N 2 0 353.235 3.351 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1O ZINC000848518708 731174162 /nfs/dbraw/zinc/17/41/62/731174162.db2.gz LOGKRQIRTOIRNE-GFCCVEGCSA-N 2 0 357.292 3.300 20 10 FGCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000185651570 495663581 /nfs/dbraw/zinc/66/35/81/495663581.db2.gz IYPDEBUENAXFGJ-MRXNPFEDSA-N 2 0 370.493 3.208 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1O ZINC000184968391 496604632 /nfs/dbraw/zinc/60/46/32/496604632.db2.gz HUGQSPNYPYVHLZ-AWEZNQCLSA-N 2 0 360.889 3.043 20 10 FGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158449726 496705396 /nfs/dbraw/zinc/70/53/96/496705396.db2.gz GZPNQYAJPDVNLC-GOSISDBHSA-N 2 0 367.541 3.140 20 10 FGCDRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000363756970 498976229 /nfs/dbraw/zinc/97/62/29/498976229.db2.gz JFBYJBNZFRGLQJ-PKOBYXMFSA-N 2 0 368.525 3.381 20 10 FGCDRP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000378522540 499527587 /nfs/dbraw/zinc/52/75/87/499527587.db2.gz SPCNDYZGNYJRSP-HRAATJIYSA-N 2 0 356.466 3.192 20 10 FGCDRP C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377246550 499673577 /nfs/dbraw/zinc/67/35/77/499673577.db2.gz UYBQYJJPJDBMSP-NZQKXSOJSA-N 2 0 370.585 3.135 20 10 FGCDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775500122 723996377 /nfs/dbraw/zinc/99/63/77/723996377.db2.gz WKSAJTFNKZSRPM-YJBOKZPZSA-N 2 0 353.938 3.360 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CSCCF)cc2F)CC1 ZINC000850434599 731356980 /nfs/dbraw/zinc/35/69/80/731356980.db2.gz ZASPZGQXXQZIFR-HNNXBMFYSA-N 2 0 357.514 3.148 20 10 FGCDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249807 732798537 /nfs/dbraw/zinc/79/85/37/732798537.db2.gz DCLISFNGVJSBOK-CQSZACIVSA-N 2 0 371.319 3.087 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926855225 759832583 /nfs/dbraw/zinc/83/25/83/759832583.db2.gz SGILDBKRHIGJTA-IBGZPJMESA-N 2 0 356.901 3.264 20 10 FGCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000185573435 495627817 /nfs/dbraw/zinc/62/78/17/495627817.db2.gz WGMMJDBZQCKYQL-QGZVFWFLSA-N 2 0 361.530 3.002 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC000285181683 498014532 /nfs/dbraw/zinc/01/45/32/498014532.db2.gz NIFFCKCHYYTWSC-XLIONFOSSA-N 2 0 354.494 3.426 20 10 FGCDRP COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828036 498658472 /nfs/dbraw/zinc/65/84/72/498658472.db2.gz TZTNSNKGCOFWSM-MAUKXSAKSA-N 2 0 371.437 3.092 20 10 FGCDRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000294942286 498857220 /nfs/dbraw/zinc/85/72/20/498857220.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 2 0 360.885 3.292 20 10 FGCDRP COCC[N@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644798 724014580 /nfs/dbraw/zinc/01/45/80/724014580.db2.gz VRVPNVXXOURRRP-UHFFFAOYSA-N 2 0 359.539 3.149 20 10 FGCDRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208026 725296811 /nfs/dbraw/zinc/29/68/11/725296811.db2.gz RLLLHMYNCJQEHB-INIZCTEOSA-N 2 0 359.436 3.089 20 10 FGCDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817980756 727290299 /nfs/dbraw/zinc/29/02/99/727290299.db2.gz NGYHDHHFSWGXHA-HOTGVXAUSA-N 2 0 351.922 3.359 20 10 FGCDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817986845 727290748 /nfs/dbraw/zinc/29/07/48/727290748.db2.gz UPROQGVKFMMIGG-YLFCFFPRSA-N 2 0 363.933 3.215 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1O ZINC000826940888 729419583 /nfs/dbraw/zinc/41/95/83/729419583.db2.gz HCCBJMMWSCSEBO-IBGZPJMESA-N 2 0 360.885 3.210 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000848527366 731175722 /nfs/dbraw/zinc/17/57/22/731175722.db2.gz AKIBVLWGSJPMQA-NEPJUHHUSA-N 2 0 357.292 3.156 20 10 FGCDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000848557194 731181556 /nfs/dbraw/zinc/18/15/56/731181556.db2.gz GKWDCMFXFDNWND-INMHGKMJSA-N 2 0 351.922 3.167 20 10 FGCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155024976 495807113 /nfs/dbraw/zinc/80/71/13/495807113.db2.gz LDSVSWWZZPGXGD-UXHICEINSA-N 2 0 358.574 3.354 20 10 FGCDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280144723 497662758 /nfs/dbraw/zinc/66/27/58/497662758.db2.gz PXJPUDYETREKPR-IBGZPJMESA-N 2 0 354.498 3.088 20 10 FGCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1 ZINC000293637154 498436155 /nfs/dbraw/zinc/43/61/55/498436155.db2.gz HWBGXOISNBRUPQ-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000294942288 498857372 /nfs/dbraw/zinc/85/73/72/498857372.db2.gz CSMSBVLWTVHKBW-QGZVFWFLSA-N 2 0 360.885 3.292 20 10 FGCDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911117 730788432 /nfs/dbraw/zinc/78/84/32/730788432.db2.gz KPJGNVYGDJGAHS-VNQPRFMTSA-N 2 0 369.303 3.016 20 10 FGCDRP COc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000848537927 731178037 /nfs/dbraw/zinc/17/80/37/731178037.db2.gz PJHHDMAYOOQCJP-LLVKDONJSA-N 2 0 355.276 3.076 20 10 FGCDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127366817 494934723 /nfs/dbraw/zinc/93/47/23/494934723.db2.gz WJTBLYVPHOUPPN-ROUUACIJSA-N 2 0 362.537 3.103 20 10 FGCDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233387 495064873 /nfs/dbraw/zinc/06/48/73/495064873.db2.gz XLBXDWTUPODYJM-FQEVSTJZSA-N 2 0 358.574 3.355 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000186520005 496029039 /nfs/dbraw/zinc/02/90/39/496029039.db2.gz BWAUEVFOWSDREB-KDOFPFPSSA-N 2 0 360.885 3.463 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000186519911 496029400 /nfs/dbraw/zinc/02/94/00/496029400.db2.gz ZWSFAFMCXBRMCO-DNVCBOLYSA-N 2 0 358.457 3.339 20 10 FGCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355810 496781673 /nfs/dbraw/zinc/78/16/73/496781673.db2.gz CQOLYMUDEMKHMK-JHVJFLLYSA-N 2 0 358.526 3.299 20 10 FGCDRP COc1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1O ZINC000289447139 498150556 /nfs/dbraw/zinc/15/05/56/498150556.db2.gz MSSCDBXELOHYEZ-UHFFFAOYSA-N 2 0 369.509 3.221 20 10 FGCDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638772 700452574 /nfs/dbraw/zinc/45/25/74/700452574.db2.gz IXYSJNNVWXBTBI-DOMZBBRYSA-N 2 0 371.319 3.325 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)CC(C)C)cc2F)CC1 ZINC000765853017 723544316 /nfs/dbraw/zinc/54/43/16/723544316.db2.gz OHOJWNREQVVGIZ-GOSISDBHSA-N 2 0 351.510 3.118 20 10 FGCDRP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000827948591 729437603 /nfs/dbraw/zinc/43/76/03/729437603.db2.gz HWDGWTPQMWMTHJ-CQSZACIVSA-N 2 0 353.304 3.366 20 10 FGCDRP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000848519358 731174804 /nfs/dbraw/zinc/17/48/04/731174804.db2.gz RKMXCCCYIPXADO-YUTCNCBUSA-N 2 0 369.303 3.441 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506862 731366245 /nfs/dbraw/zinc/36/62/45/731366245.db2.gz CJRHDBIKYFNIDE-KBXCAEBGSA-N 2 0 360.885 3.463 20 10 FGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3CC(F)(F)C3)cc2F)CC1 ZINC000862277584 732803259 /nfs/dbraw/zinc/80/32/59/732803259.db2.gz GKXQKUUOEPFAFV-CQSZACIVSA-N 2 0 355.448 3.491 20 10 FGCDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000158483922 496711473 /nfs/dbraw/zinc/71/14/73/496711473.db2.gz OPEIWXUXGBHPMS-OAQYLSRUSA-N 2 0 367.541 3.140 20 10 FGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1C ZINC000273393168 496793789 /nfs/dbraw/zinc/79/37/89/496793789.db2.gz LIKIEZSFZMDXAK-QGZVFWFLSA-N 2 0 354.498 3.007 20 10 FGCDRP CCn1ccnc1[C@H](C)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000297710107 498544253 /nfs/dbraw/zinc/54/42/53/498544253.db2.gz MSIJAWJGSUJVTC-INIZCTEOSA-N 2 0 359.493 3.035 20 10 FGCDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287565254 498799056 /nfs/dbraw/zinc/79/90/56/498799056.db2.gz GKHTXANMUOKMPV-GOSISDBHSA-N 2 0 374.916 3.433 20 10 FGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841016 723743407 /nfs/dbraw/zinc/74/34/07/723743407.db2.gz CITBSMBNHPVBGS-LJQANCHMSA-N 2 0 357.885 3.315 20 10 FGCDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775500121 723996457 /nfs/dbraw/zinc/99/64/57/723996457.db2.gz WKSAJTFNKZSRPM-QAPCUYQASA-N 2 0 353.938 3.360 20 10 FGCDRP C[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Cl)(N2CCCCC2)CC1 ZINC000776220345 724120694 /nfs/dbraw/zinc/12/06/94/724120694.db2.gz VTMOJWFDACKMLK-UHFFFAOYSA-N 2 0 351.922 3.086 20 10 FGCDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890464 727287274 /nfs/dbraw/zinc/28/72/74/727287274.db2.gz YGZLMQDRDIYJLE-UWJYYQICSA-N 2 0 355.551 3.288 20 10 FGCDRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1O ZINC000817975560 727290175 /nfs/dbraw/zinc/29/01/75/727290175.db2.gz WMYXWOXYBXWHSX-OAHLLOKOSA-N 2 0 360.420 3.468 20 10 FGCDRP Cc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000825316092 729378441 /nfs/dbraw/zinc/37/84/41/729378441.db2.gz QAQBWSJHTWOZRR-UHFFFAOYSA-N 2 0 365.949 3.394 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841754430 730270974 /nfs/dbraw/zinc/27/09/74/730270974.db2.gz RMXFVXYJRIIPSR-KDOFPFPSSA-N 2 0 360.885 3.463 20 10 FGCDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521964 731174614 /nfs/dbraw/zinc/17/46/14/731174614.db2.gz SHDHSPSULRFIQS-RYUDHWBXSA-N 2 0 357.292 3.156 20 10 FGCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510570 731366908 /nfs/dbraw/zinc/36/69/08/731366908.db2.gz YITUMFLOWNZUET-KSSFIOAISA-N 2 0 360.885 3.463 20 10 FGCDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCOCC2)cc1Cl ZINC000873265529 735744464 /nfs/dbraw/zinc/74/44/64/735744464.db2.gz WHJILCFSSVSDIB-WCXIOVBPSA-N 2 0 363.933 3.358 20 10 FGCDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891611944 739920756 /nfs/dbraw/zinc/92/07/56/739920756.db2.gz ZHIDVKBIEUJOTC-UHFFFAOYSA-N 2 0 350.503 3.353 20 10 FGCDRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C)cc1O ZINC000279957325 497602055 /nfs/dbraw/zinc/60/20/55/497602055.db2.gz CCYFCAFQSDFVMA-IBGZPJMESA-N 2 0 354.498 3.088 20 10 FGCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1 ZINC000284115803 499051286 /nfs/dbraw/zinc/05/12/86/499051286.db2.gz NNEFGJQGYOSKGC-KRWDZBQOSA-N 2 0 354.498 3.007 20 10 FGCDRP CCn1ccnc1CN1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000371415890 499323655 /nfs/dbraw/zinc/32/36/55/499323655.db2.gz DKCUUJJSCHBATF-UHFFFAOYSA-N 2 0 364.493 3.470 20 10 FGCDRP COc1cc(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000246479260 713625013 /nfs/dbraw/zinc/62/50/13/713625013.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 2 0 369.303 3.079 20 10 FGCDRP CCN(CC)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000762480678 723246993 /nfs/dbraw/zinc/24/69/93/723246993.db2.gz BXTUGCZTVUYWKA-QGZVFWFLSA-N 2 0 351.510 3.262 20 10 FGCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000808711369 725214485 /nfs/dbraw/zinc/21/44/85/725214485.db2.gz DVPLDQUJFFWNSM-PBHICJAKSA-N 2 0 369.937 3.097 20 10 FGCDRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216348 725297445 /nfs/dbraw/zinc/29/74/45/725297445.db2.gz HYPYGOQOBNUEJV-XJKSGUPXSA-N 2 0 359.436 3.088 20 10 FGCDRP Cc1cc(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000840916946 730191062 /nfs/dbraw/zinc/19/10/62/730191062.db2.gz LTQZAMZNDFBTGT-UHFFFAOYSA-N 2 0 352.906 3.431 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087149 730209186 /nfs/dbraw/zinc/20/91/86/730209186.db2.gz NFKQOUOOBHODND-CJNGLKHVSA-N 2 0 353.304 3.427 20 10 FGCDRP Cc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1O ZINC000843046216 730573758 /nfs/dbraw/zinc/57/37/58/730573758.db2.gz PXBRWPVIKFPOAJ-MRXNPFEDSA-N 2 0 353.304 3.427 20 10 FGCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510573 731366996 /nfs/dbraw/zinc/36/69/96/731366996.db2.gz YITUMFLOWNZUET-RDTXWAMCSA-N 2 0 360.885 3.463 20 10 FGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(O)c1C ZINC000273415440 496799419 /nfs/dbraw/zinc/79/94/19/496799419.db2.gz IPHLWBMRSGRPHN-FXAWDEMLSA-N 2 0 354.494 3.426 20 10 FGCDRP C[NH+]1CCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293941561 498539244 /nfs/dbraw/zinc/53/92/44/498539244.db2.gz YSKCYBATDQQTAL-QFIPXVFZSA-N 2 0 367.537 3.293 20 10 FGCDRP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1O ZINC000368402225 499292398 /nfs/dbraw/zinc/29/23/98/499292398.db2.gz JODBLJQYFGAUJG-KDOFPFPSSA-N 2 0 362.905 3.260 20 10 FGCDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713653 725261637 /nfs/dbraw/zinc/26/16/37/725261637.db2.gz WJXXAANPQRMLTH-UHFFFAOYSA-N 2 0 373.254 3.334 20 10 FGCDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889704 727286858 /nfs/dbraw/zinc/28/68/58/727286858.db2.gz VBMAJMXIJOZEFQ-HNNXBMFYSA-N 2 0 356.539 3.253 20 10 FGCDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087151 730209226 /nfs/dbraw/zinc/20/92/26/730209226.db2.gz NFKQOUOOBHODND-CZUORRHYSA-N 2 0 353.304 3.427 20 10 FGCDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911116 730788209 /nfs/dbraw/zinc/78/82/09/730788209.db2.gz KPJGNVYGDJGAHS-KBMXLJTQSA-N 2 0 369.303 3.016 20 10 FGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000925775851 759534541 /nfs/dbraw/zinc/53/45/41/759534541.db2.gz HTJLFNHHNMJQGC-MNOVXSKESA-N 2 0 363.246 3.359 20 10 FGCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492226 495597824 /nfs/dbraw/zinc/59/78/24/495597824.db2.gz WLKUIZHJGFHLMD-SJORKVTESA-N 2 0 358.526 3.423 20 10 FGCDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000186587740 496059563 /nfs/dbraw/zinc/05/95/63/496059563.db2.gz QSDSJWDAMNNVKP-VQTJNVASSA-N 2 0 358.574 3.354 20 10 FGCDRP COc1c(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826981 498656751 /nfs/dbraw/zinc/65/67/51/498656751.db2.gz RFBBHAPAGZBMDJ-HNNXBMFYSA-N 2 0 374.441 3.294 20 10 FGCDRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(F)ccc1O ZINC000368221040 499275456 /nfs/dbraw/zinc/27/54/56/499275456.db2.gz GVICIHFXYNDPSQ-INIZCTEOSA-N 2 0 363.521 3.378 20 10 FGCDRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000371326462 499310350 /nfs/dbraw/zinc/31/03/50/499310350.db2.gz IYWPOOQGBLQBSG-UHFFFAOYSA-N 2 0 351.922 3.038 20 10 FGCDRP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809754477 725265535 /nfs/dbraw/zinc/26/55/35/725265535.db2.gz AIMTVMVYXYTPII-UHFFFAOYSA-N 2 0 359.308 3.327 20 10 FGCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)CC2)CC1 ZINC000817414044 727249081 /nfs/dbraw/zinc/24/90/81/727249081.db2.gz QJUVJXQVGLZDHO-UHFFFAOYSA-N 2 0 365.949 3.346 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1O ZINC000824914716 729364982 /nfs/dbraw/zinc/36/49/82/729364982.db2.gz XMMVHSLTGKYQCD-UHFFFAOYSA-N 2 0 359.308 3.373 20 10 FGCDRP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827948588 729437618 /nfs/dbraw/zinc/43/76/18/729437618.db2.gz HWDGWTPQMWMTHJ-AWEZNQCLSA-N 2 0 353.304 3.366 20 10 FGCDRP COc1cc(Br)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1O ZINC000835062510 729854385 /nfs/dbraw/zinc/85/43/85/729854385.db2.gz PGHORJHLJXBNDE-UHFFFAOYSA-N 2 0 357.292 3.127 20 10 FGCDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000858140851 732185039 /nfs/dbraw/zinc/18/50/39/732185039.db2.gz IOYCPFOFFDYVGM-ZIAGYGMSSA-N 2 0 371.319 3.134 20 10 FGCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498577 495401042 /nfs/dbraw/zinc/40/10/42/495401042.db2.gz DJBZHMHNKQMAQK-OAQYLSRUSA-N 2 0 367.541 3.140 20 10 FGCDRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296310219 497994137 /nfs/dbraw/zinc/99/41/37/497994137.db2.gz FCXLJHPRHLAPLB-VQTJNVASSA-N 2 0 352.478 3.126 20 10 FGCDRP C[NH+]1CCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293941557 498539369 /nfs/dbraw/zinc/53/93/69/498539369.db2.gz YSKCYBATDQQTAL-JOCHJYFZSA-N 2 0 367.537 3.293 20 10 FGCDRP COc1c([O-])c(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828040 498658507 /nfs/dbraw/zinc/65/85/07/498658507.db2.gz TZTNSNKGCOFWSM-QAPCUYQASA-N 2 0 371.437 3.092 20 10 FGCDRP C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052721 499260038 /nfs/dbraw/zinc/26/00/38/499260038.db2.gz YBQZQQUNBATFBB-LJQANCHMSA-N 2 0 353.510 3.146 20 10 FGCDRP